{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -107.280982 -113.704281 -153.6168475 ] [ 4.7131172 -5.4105262 5.3918787 ] [ 394.4668077 -248.870933 -49.8922257 ] [ -314.3335308 344.8460334 204.1626875 ] [ 22.4345879 23.1397069 -6.045493 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.718830812168656e-07 -1.821743407030737e-07 -2.46121321625499e-07 ] [ 7.551246188930358e-09 -8.668618583865864e-09 8.638741995329498e-09 ] [ 6.320054969785494e-07 -3.987351904492832e-07 -7.993615757621692e-08 ] [ -5.036178341812767e-07 5.52504252489096e-07 3.271046847521964e-07 ] [ 3.594417223066257e-08 3.707389740734444e-08 -9.685947545810054e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 54.068261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.662690370151243e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9031058 0.1651891 1.5855584 ] [ 1.4817595 2.2625749 1.1684852 ] [ 2.9521466 0.8570186 2.0657839 ] [ 1.2230612 1.5727511 3.2660992 ] [ 2.8682075 2.9630412 2.7480183 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.031058e-11 1.651891e-11 1.5855584e-10 ] [ 1.4817595e-10 2.2625749e-10 1.1684852e-10 ] [ 2.9521466e-10 8.570186e-11 2.0657839e-10 ] [ 1.2230612e-10 1.5727511e-10 3.2660992e-10 ] [ 2.8682075e-10 2.9630412e-10 2.7480183e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 6.3e-05 3.52e-05 ] [ 6.28e-05 -0.0001032 0.0001017 ] [ -8.67e-05 0.0001482 8.9e-06 ] [ 8.37e-05 5.4e-06 -0.0001294 ] [ -5.96e-05 -0.0001134 -1.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 1.009371271104e-13 5.639661705216e-14 ] [ 1.0061669178624e-13 -1.6534462726656e-13 1.6294136233536e-13 ] [ -1.3890871302336e-13 2.3744257520256e-13 1.425937192512e-14 ] [ 1.3410218316096e-13 8.65175375232e-15 -2.0732165473152e-13 ] [ -9.548972659968001e-14 -1.8168682879872e-13 -2.611547891904e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }