{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.472427 -5.8680701 -5.3954321 ] [ -3.7186601 -5.9914901 5.096693 ] [ -5.4306096 2.7425476 12.0072626 ] [ -16.5153941 6.0466328 -4.4327051 ] [ 6.4914276 -6.5742317 -13.0047716 ] [ 14.887598 -10.0129599 12.1274076 ] [ 3.8132112 19.6575714 -6.3984544 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.569114944346816e-10 -9.401684723435518e-09 -8.644435169733848e-09 ] [ -5.95795027292179e-09 -9.599425361974655e-09 8.165802367995016e-09 ] [ -8.700795737812041e-09 4.39404564615115e-09 1.923775541752622e-08 ] [ -2.646057831031826e-08 9.687773706722442e-09 -7.101976478120926e-09 ] [ 1.040041353633585e-08 -1.053308032946224e-08 -2.083594101636381e-08 ] [ 2.385256145546884e-08 -1.604253025678791e-08 1.943024892763224e-08 ] [ 6.109437834812713e-09 3.149490131878672e-08 -1.025145404893489e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.74871237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.199569454917759e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5823964 0.9070848 2.4395856 ] [ 1.2335615 1.2039243 4.3628374 ] [ 2.1624709 3.1014718 5.42588 ] [ 1.5724753 4.9154665 4.0276846 ] [ 4.1632156 2.6611658 2.5731057 ] [ 4.4557943 2.8456345 4.9117906 ] [ 2.9213191 4.6186294 2.1044372 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5823964e-10 9.070848e-11 2.4395856e-10 ] [ 1.2335615e-10 1.2039243e-10 4.3628374e-10 ] [ 2.1624709e-10 3.1014718e-10 5.425880000000001e-10 ] [ 1.5724753e-10 4.9154665e-10 4.0276846e-10 ] [ 4.1632156e-10 2.6611658e-10 2.5731057e-10 ] [ 4.4557943e-10 2.8456345e-10 4.9117906e-10 ] [ 2.9213191e-10 4.6186294e-10 2.1044372e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 1.54e-05 -6e-07 ] [ -2.67e-05 -3e-06 6.9e-06 ] [ 8.1e-06 -2e-07 -8.7e-06 ] [ -1e-07 -9.7e-06 5e-07 ] [ 1.51e-05 1.21e-05 8.6e-06 ] [ 1.11e-05 -3.3e-06 -0.0 ] [ -9.3e-06 -1.14e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 2.467351996032e-14 -9.6130597248e-16 ] [ -4.277811577536e-14 -4.8065298624e-15 1.105501868352e-14 ] [ 1.297763062848e-14 -3.2043532416e-16 -1.393893660096e-14 ] [ -1.6021766208e-16 -1.554111322176e-14 8.010883104e-16 ] [ 2.419286697408e-14 1.938633711168e-14 1.377871893888e-14 ] [ 1.778416049088e-14 -5.28718284864e-15 0.0 ] [ -1.490024257344e-14 -1.826481347712e-14 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }