{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2942712 -6.694237 -13.7176405 ] [ -2.1171053 0.1417244 5.7197184 ] [ -9.9801596 -12.1944687 1.3670873 ] [ -11.4782016 7.4064083 -1.6091789 ] [ 11.7109262 -9.1821956 7.3058702 ] [ 5.8767165 8.4984763 -8.028662 ] [ 7.282095 12.0242923 8.9628055 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.073651057614761e-09 -1.072535001549433e-08 -2.197808290163922e-08 ] [ -3.39197661543177e-09 2.270675202769075e-10 9.163999098039582e-09 ] [ -1.598997838297268e-08 -1.953769265421737e-08 2.190315310652595e-09 ] [ -1.839010625234915e-08 1.186637422235907e-08 -2.578188812264661e-09 ] [ 1.876297216555418e-08 -1.471149911793263e-08 1.170529442903942e-08 ] [ 9.415537783369605e-09 1.361606004028289e-08 -1.286333455270537e-08 ] [ 1.166720235944457e-08 1.926504000472546e-08 1.435999742887765e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.8067171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.099033139619577e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5395803 1.6943232 1.2325102 ] [ 1.3889416 2.8681457 4.5648282 ] [ 2.0738272 0.7887444 3.4055637 ] [ 0.8654689 4.3817911 2.7371449 ] [ 4.3458159 1.1592368 4.1888748 ] [ 3.0880243 3.9471058 1.8516716 ] [ 3.8757669 3.5433641 4.1653945 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5395803e-10 1.6943232e-10 1.2325102e-10 ] [ 1.3889416e-10 2.8681457e-10 4.5648282e-10 ] [ 2.0738272e-10 7.887444e-11 3.4055637e-10 ] [ 8.654689e-11 4.3817911e-10 2.7371449e-10 ] [ 4.3458159e-10 1.1592368e-10 4.1888748e-10 ] [ 3.0880243e-10 3.9471058e-10 1.8516716e-10 ] [ 3.8757669e-10 3.5433641e-10 4.1653945e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 2.43e-05 8.7e-06 ] [ 1.52e-05 -4.4e-06 -9.6e-06 ] [ -1.14e-05 5.9e-06 2.14e-05 ] [ -2.6e-05 -1.07e-05 -1.07e-05 ] [ -1e-06 -2.1e-06 -6.2e-06 ] [ 1.33e-05 1.2e-06 -4.9e-06 ] [ 5e-06 -1.42e-05 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 3.893289188544e-14 1.393893660096e-14 ] [ 2.435308463616e-14 -7.04957713152e-15 -1.538089555968e-14 ] [ -1.826481347712e-14 9.45284206272e-15 3.428657968511999e-14 ] [ -4.16565921408e-14 -1.714328984256e-14 -1.714328984256e-14 ] [ -1.6021766208e-15 -3.36457090368e-15 -9.93349504896e-15 ] [ 2.130894905664e-14 1.92261194496e-15 -7.850665441919999e-15 ] [ 8.010883104e-15 -2.275090801536e-14 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }