{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9830947 -0.4787834 0.446203 ] [ 2.4459519 0.6359825 1.2578531 ] [ 0.4638121 -0.6039473 -0.0214057 ] [ 0.5524168 0.7792627 -1.1639735 ] [ -1.1184324 -0.7458926 0.3361801 ] [ -0.2958244 -0.7332887 -0.7251544 ] [ -0.0648294 1.1466668 -0.1297026 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.17726796517239e-09 -7.670955699071348e-10 7.148960147308225e-10 ] [ 3.918846949781339e-09 1.018956292737936e-09 2.015302829220804e-09 ] [ 7.431089030641517e-10 -9.676302442552838e-10 -3.429571209185856e-11 ] [ 8.850692818971495e-10 1.248516479401484e-09 -1.864891128930749e-09 ] [ -1.791926243225234e-09 -1.195051685347726e-09 5.386198965982061e-10 ] [ -4.739629375421875e-10 -1.174858011436825e-09 -1.161825426150252e-09 ] [ -1.038681490204915e-10 1.83716273880755e-09 -2.078064733769741e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.295688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.771074695425111e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5314505 0.2469012 2.6082449 ] [ 2.3104508 1.4418928 1.5806742 ] [ 2.6637708 3.3922392 2.8614499 ] [ 1.9605327 0.2294226 4.4942346 ] [ 3.8780821 0.3810023 3.0486132 ] [ 2.4628147 2.4725837 5.0690246 ] [ 4.5869024 2.5035243 3.8569885 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.314505e-11 2.469012e-11 2.6082449e-10 ] [ 2.3104508e-10 1.4418928e-10 1.5806742e-10 ] [ 2.6637708e-10 3.3922392e-10 2.861449900000001e-10 ] [ 1.9605327e-10 2.294226e-11 4.4942346e-10 ] [ 3.8780821e-10 3.810023e-11 3.0486132e-10 ] [ 2.4628147e-10 2.4725837e-10 5.0690246e-10 ] [ 4.5869024e-10 2.5035243e-10 3.8569885e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5519019 0.1454263 0.0487262 ] [ -0.0071622 -0.052608 0.1650394 ] [ -0.4242292 0.2032896 -0.4540989 ] [ 0.2731338 0.196356 -0.0791027 ] [ -0.4754258 0.2961396 0.0340808 ] [ 0.1742001 -0.1668027 -0.0166621 ] [ -0.0924186 -0.6218008 0.3020174 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.842443211550995e-10 2.32998617909447e-10 7.806797846042497e-11 ] [ -1.147510939349376e-11 -8.428730766704641e-11 2.644222681908595e-10 ] [ -6.796901061006873e-10 3.257058443717837e-10 -7.275466411109971e-10 ] [ 4.37608588710263e-10 3.145969925538048e-10 -1.267364965821562e-10 ] [ -7.617161016851367e-10 4.744679436130636e-10 5.460346097816065e-11 ] [ 2.790993275610221e-10 -2.672473862263162e-10 -2.669562707343168e-11 ] [ -1.480709202470669e-10 -9.962347045547367e-10 4.838852173548019e-10 ] ] } "relaxed-potential-energy" { "source-value" -22.31936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.575955678321869e-18 } }