{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8247799 -1.3121822 -1.2689512 ] [ -2.611894 2.750742 2.0118019 ] [ -0.8446268 -0.5073033 0.6880503 ] [ 2.1404138 0.0621939 -0.1380675 ] [ 2.5275591 -3.1442014 0.7194948 ] [ 0.133476 -0.906181 -4.506775 ] [ 0.4798517 3.056932 2.4944467 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.923619693885762e-09 -2.10234764306991e-09 -2.033083945576105e-09 ] [ -4.184715502807795e-09 4.407174522252634e-09 3.223261969861019e-09 ] [ -1.353241312261118e-09 -8.127894869146886e-10 1.102378104594426e-09 ] [ 3.429320949197687e-09 9.964561253637312e-11 -2.21208520592304e-10 ] [ 4.049596097710289e-09 -5.037565974166629e-09 1.152757747347172e-09 ] [ 2.138521266379008e-10 -1.451862012413165e-09 -7.220649540205921e-09 ] [ 7.688071751911353e-10 4.897744981775386e-09 3.996544184571711e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.899234085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.265596817413066e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3090831 1.7046294 2.5592081 ] [ 2.0691942 3.2269859 4.4321846 ] [ 1.6097479 4.0158044 2.3299221 ] [ 4.6840415 1.951353 2.1327322 ] [ 3.9692155 1.9510919 4.3103155 ] [ 3.2258021 3.2274106 0.9087821 ] [ 3.9141206 4.0444298 3.0863704 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3090831e-10 1.7046294e-10 2.5592081e-10 ] [ 2.0691942e-10 3.2269859e-10 4.432184600000001e-10 ] [ 1.6097479e-10 4.015804400000001e-10 2.3299221e-10 ] [ 4.6840415e-10 1.951353e-10 2.1327322e-10 ] [ 3.9692155e-10 1.9510919e-10 4.3103155e-10 ] [ 3.2258021e-10 3.2274106e-10 9.087821e-11 ] [ 3.9141206e-10 4.0444298e-10 3.0863704e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 -2.32e-05 2e-06 ] [ 9.1e-06 7.2e-06 8.8e-06 ] [ 2.3e-06 1.07e-05 -3.3e-06 ] [ -1.76e-05 9.7e-06 1.61e-05 ] [ 1.1e-05 -1.85e-05 4.8e-06 ] [ 2.07e-05 1.95e-05 6.1e-06 ] [ -2.41e-05 -5.3e-06 -3.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08282960704e-15 -3.717049760256e-14 3.2043532416e-15 ] [ 1.457980724928e-14 1.153567166976e-14 1.409915426304e-14 ] [ 3.68500622784e-15 1.714328984256e-14 -5.28718284864e-15 ] [ -2.819830852608e-14 1.554111322176e-14 2.579504359488e-14 ] [ 1.76239428288e-14 -2.96402674848e-14 7.69044777984e-15 ] [ 3.316505605055999e-14 3.12424441056e-14 9.77327738688e-15 ] [ -3.861245656128e-14 -8.491536090240001e-15 -5.52750934176e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }