{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7479041 -0.8562128 -6.4731018 ] [ 1.2735194 -1.8739574 6.0841301 ] [ -2.5065307 -0.5208616 -4.7657537 ] [ -3.2914271 -1.3539472 7.2729669 ] [ 2.753534 3.9899451 -0.5904067 ] [ -1.4183475 -0.0477726 -3.8319244 ] [ 3.9371561 0.6628064 2.3040897 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.198274463620465e-09 -1.371804130589706e-09 -1.03710523680184e-08 ] [ 2.040403008815244e-09 -3.002410734655154e-09 9.747851004125568e-09 ] [ -4.015904886857459e-09 -8.345122781924813e-10 -7.635579158631097e-09 ] [ -5.273447548687543e-09 -2.169262549637622e-09 1.165257753103225e-08 ] [ 4.411647799377908e-09 6.392596757495518e-09 -9.459358115036792e-10 ] [ -2.272443204670128e-09 -7.654014283483007e-11 -6.139419686353068e-09 ] [ 6.308019455860108e-09 1.061932918196613e-09 3.691558649566086e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.64577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.468034663321402e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9093603 1.0864628 2.581764 ] [ 2.4811217 2.9967913 0.9264126 ] [ 0.8254789 2.5777618 2.6614599 ] [ 2.0108815 2.1358072 4.7415163 ] [ 2.8531978 4.0358602 3.2404516 ] [ 4.6897691 2.8137789 1.9341416 ] [ 4.3991436 2.2816707 4.2920077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9093603e-10 1.0864628e-10 2.581764e-10 ] [ 2.4811217e-10 2.9967913e-10 9.264126e-11 ] [ 8.254789e-11 2.5777618e-10 2.6614599e-10 ] [ 2.0108815e-10 2.1358072e-10 4.7415163e-10 ] [ 2.8531978e-10 4.0358602e-10 3.2404516e-10 ] [ 4.689769100000001e-10 2.8137789e-10 1.9341416e-10 ] [ 4.399143600000001e-10 2.2816707e-10 4.2920077e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.5e-06 -4.55e-05 -1.37e-05 ] [ 7.7e-06 -4.23e-05 -2.8e-05 ] [ -1.53e-05 3.13e-05 2.05e-05 ] [ -1.62e-05 -2.49e-05 3e-07 ] [ -1e-06 6.67e-05 1.13e-05 ] [ 2.6e-06 2.67e-05 4.9e-06 ] [ 2.07e-05 -1.21e-05 4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.4032649312e-15 -7.28990362464e-14 -2.194981970496e-14 ] [ 1.233675998016e-14 -6.777207105984e-14 -4.48609453824e-14 ] [ -2.451330229824e-14 5.014812823104e-14 3.28446207264e-14 ] [ -2.595526125696e-14 -3.989419785791999e-14 4.8065298624e-16 ] [ -1.6021766208e-15 1.0686518060736e-13 1.810459581504e-14 ] [ 4.16565921408e-15 4.277811577536e-14 7.850665441919999e-15 ] [ 3.316505605055999e-14 -1.938633711168e-14 7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }