{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.3036537 -14.9715252 -28.0113102 ] [ -17.8449989 -21.9493545 18.0302482 ] [ -6.725842 34.3703992 4.1319643 ] [ 3.1030985 -25.6611013 4.3622706 ] [ 3.8727271 6.6042082 -10.1195665 ] [ 10.2913616 21.6073737 11.6063936 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.170174320455942e-08 -2.398702765315804e-08 -4.487906632041657e-08 ] [ -2.859084003578172e-08 -3.516674262155128e-08 2.888764213326128e-08 ] [ -1.077598680759471e-08 5.506745004580303e-08 6.620136599440238e-09 ] [ 4.971711868739549e-09 -4.111361656684049e-08 6.98912796892319e-09 ] [ 6.204792818358584e-09 1.058110797693565e-08 -1.621333285893088e-08 ] [ 1.648857895171888e-08 3.461882897902879e-08 1.859549247772275e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3226272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.119082377874166e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3892296 -0.2069273 0.7386938 ] [ -0.1801406 0.1156911 2.5301866 ] [ 0.3820927 2.4205989 2.6076384 ] [ 2.1019117 -0.4574294 3.0203116 ] [ 1.951447 2.0979843 0.8161338 ] [ 2.6641477 1.8474784 3.0977449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3892296e-10 -2.069273e-11 7.386938e-11 ] [ -1.801406e-11 1.156911e-11 2.5301866e-10 ] [ 3.820927e-11 2.4205989e-10 2.6076384e-10 ] [ 2.1019117e-10 -4.574294e-11 3.0203116e-10 ] [ 1.951447e-10 2.0979843e-10 8.161338e-11 ] [ 2.6641477e-10 1.8474784e-10 3.0977449e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.88e-05 -3.13e-05 -1.16e-05 ] [ -1.5e-06 -2.7e-05 9.5e-06 ] [ -1.15e-05 3.62e-05 -1.7e-06 ] [ 3.2e-06 -3.12e-05 -4e-06 ] [ 2.14e-05 2.68e-05 -1.13e-05 ] [ 7.2e-06 2.66e-05 1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.012092047104e-14 -5.014812823104e-14 -1.858524880128e-14 ] [ -2.4032649312e-15 -4.32587687616e-14 1.52206778976e-14 ] [ -1.84250311392e-14 5.799879367296e-14 -2.72370025536e-15 ] [ 5.126965186560001e-15 -4.998791056896e-14 -6.4087064832e-15 ] [ 3.428657968511999e-14 4.293833343744e-14 -1.810459581504e-14 ] [ 1.153567166976e-14 4.261789811328e-14 3.060157345728e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }