{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0500757 -0.8018381 -6.1587233 ] [ -2.7936318 -4.2074381 6.9794911 ] [ 6.6627211 -9.3363384 -1.0147639 ] [ -0.262866 4.0163213 8.5634245 ] [ 2.7019271 0.7642019 0.7616587 ] [ -1.1774322 10.4590773 -8.4071051 ] [ -0.0806426 -0.8939859 -0.723982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.091113219810194e-09 -1.284686257486692e-09 -9.867362485236225e-09 ] [ -4.475891557083421e-09 -6.741058957283173e-09 1.118237746550167e-08 ] [ 1.067485597733086e-08 -1.495846310835728e-08 -1.625830996211829e-09 ] [ -4.211577596032128e-10 6.434856088481064e-09 1.372011852788593e-08 ] [ 4.328964430725944e-09 1.22438641775094e-09 1.220311762168921e-09 ] [ -1.88645434341711e-09 1.675728912519999e-08 -1.346966723982845e-08 ] [ -1.292036883605261e-10 -1.432323308304847e-09 -1.159947034280026e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5397462 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.528435833000564e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2185882 1.7363986 1.3984042 ] [ 1.9280141 1.4703752 3.9010993 ] [ 3.9788507 0.4662105 2.7048438 ] [ 4.2221355 2.5953286 4.1122407 ] [ 5.361778 3.8809725 2.2092344 ] [ 3.0910161 3.8906129 1.0857444 ] [ 3.3109494 4.8851593 3.4054843 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2185882e-10 1.7363986e-10 1.3984042e-10 ] [ 1.9280141e-10 1.4703752e-10 3.9010993e-10 ] [ 3.9788507e-10 4.662105e-11 2.7048438e-10 ] [ 4.2221355e-10 2.595328600000001e-10 4.1122407e-10 ] [ 5.361778e-10 3.8809725e-10 2.2092344e-10 ] [ 3.0910161e-10 3.8906129e-10 1.0857444e-10 ] [ 3.3109494e-10 4.885159299999999e-10 3.4054843e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.1e-06 4e-07 -5.9e-06 ] [ 3e-07 5.5e-06 3.5e-06 ] [ -1.3e-06 -3.5e-06 3.2e-06 ] [ 3.5e-06 -5.2e-06 -4.3e-06 ] [ 6.6e-06 1.4e-06 3.1e-06 ] [ -7.5e-06 -8e-07 -1.8e-06 ] [ -4.8e-06 2.2e-06 2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.96674752448e-15 6.408706483200001e-16 -9.45284206272e-15 ] [ 4.8065298624e-16 8.8119714144e-15 5.6076181728e-15 ] [ -2.08282960704e-15 -5.6076181728e-15 5.126965186560001e-15 ] [ 5.6076181728e-15 -8.33131842816e-15 -6.889359469440001e-15 ] [ 1.057436569728e-14 2.24304726912e-15 4.96674752448e-15 ] [ -1.2016324656e-14 -1.28174129664e-15 -2.88391791744e-15 ] [ -7.69044777984e-15 3.52478856576e-15 3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.381594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.624620691823756e-18 } }