{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5103257 -6.9232443 -16.1551167 ] [ -9.0826305 3.1808592 -2.613058 ] [ -5.4130726 -9.1923967 11.5337208 ] [ -2.3354599 14.4209202 -3.2253629 ] [ 5.7573568 -5.213481 2.6995875 ] [ 8.9713469 2.0122235 -4.4058138 ] [ 1.5921337 1.7151189 12.1660431 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.176319055333946e-10 -1.109226015754686e-08 -2.588335028303565e-08 ] [ -1.455197824246501e-08 5.096298244296591e-09 -4.186580436394407e-09 ] [ -8.67269836641307e-09 -1.472784308185907e-08 1.847905781659467e-08 ] [ -3.741819250595906e-09 2.310486119486246e-08 -5.167601031975688e-09 ] [ 9.2243024625639e-09 -8.352917371185005e-09 4.325215978303919e-09 ] [ 1.437368226026656e-08 3.223937447524349e-09 -7.058891865958007e-09 ] [ 2.550879391327801e-09 2.747923403472213e-09 1.949214982246516e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0475202 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.68919547825574e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.7314538 1.530465 0.7073725 ] [ 1.0275405 2.7510192 1.8691827 ] [ 1.5028563 1.4905991 3.8511758 ] [ 2.6232668 4.459472 2.5144704 ] [ 4.0127885 1.2504416 3.0168423 ] [ 4.3901208 3.3062355 1.3781861 ] [ 3.1614733 3.2664366 4.5219241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7314538e-10 1.530465e-10 7.073725e-11 ] [ 1.0275405e-10 2.7510192e-10 1.8691827e-10 ] [ 1.5028563e-10 1.4905991e-10 3.8511758e-10 ] [ 2.6232668e-10 4.459472e-10 2.5144704e-10 ] [ 4.0127885e-10 1.2504416e-10 3.0168423e-10 ] [ 4.3901208e-10 3.3062355e-10 1.3781861e-10 ] [ 3.1614733e-10 3.2664366e-10 4.5219241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 6.8e-06 -4.5e-06 ] [ -3.3e-06 1.1e-06 4.1e-06 ] [ -1.5e-06 7.6e-06 1.5e-06 ] [ 6.4e-06 -1.2e-06 2e-06 ] [ 7.8e-06 4.9e-06 2.65e-05 ] [ -4.8e-06 3.2e-06 -1.92e-05 ] [ -7.7e-06 -2.23e-05 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 1.089480102144e-14 -7.2097947936e-15 ] [ -5.28718284864e-15 1.76239428288e-15 6.568924145279999e-15 ] [ -2.4032649312e-15 1.217654231808e-14 2.4032649312e-15 ] [ 1.025393037312e-14 -1.92261194496e-15 3.2043532416e-15 ] [ 1.249697764224e-14 7.850665441919999e-15 4.24576804512e-14 ] [ -7.69044777984e-15 5.126965186560001e-15 -3.076179111936e-14 ] [ -1.233675998016e-14 -3.572853864384e-14 -1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.765666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846373471814145e-18 } }