{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7266937 0.3281129 0.1138198 ] [ 0.6755994 0.7068783 2.528749 ] [ 1.24494 2.902842 0.1722514 ] [ 2.894919 0.4231749 1.051303 ] [ 2.63173 1.048668 2.819948 ] [ 2.452649 2.84958 1.823943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.266937e-11 3.281129e-11 1.138198e-11 ] [ 6.755994e-11 7.068783e-11 2.528749e-10 ] [ 1.24494e-10 2.902842e-10 1.722514e-11 ] [ 2.894919e-10 4.231749e-11 1.051303e-10 ] [ 2.63173e-10 1.048668e-10 2.819948e-10 ] [ 2.452649e-10 2.84958e-10 1.823943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.436977 -0.4939889 -1.836766 ] [ -7.1802968 -2.5518583 2.7200336 ] [ -2.6651583 1.7510262 -3.9640928 ] [ 4.5142058 -4.3357866 -5.4500083 ] [ 3.7017593 -0.6048935 7.1709945 ] [ 3.066467 6.2355012 1.359839 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.302290954027321e-09 -7.914574665147092e-10 -2.942823543080333e-09 ] [ -1.150410366336505e-08 -4.088527707854433e-09 4.357974241710459e-09 ] [ -4.270054318991073e-09 2.805453240048265e-09 -6.35117680684161e-09 ] [ 7.23255499423976e-09 -6.946695923297921e-09 -8.731875881425954e-09 ] [ 5.930872206288973e-09 -9.691462237738848e-10 1.148919973578539e-08 ] [ 4.913021735854714e-09 9.990374241610345e-09 2.178702253852051e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.074546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.774337868717416e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8066147 0.5722477 0.2202661 ] [ 0.3718897 0.4181383 2.6276758 ] [ 1.1516099 2.9109652 0.0301324 ] [ 3.0788532 -0.1284708 0.8154731 ] [ 2.6974519 1.1542076 2.8691594 ] [ 2.5201117 3.3321681 1.9473074 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.066147e-11 5.722477e-11 2.202661e-11 ] [ 3.718897e-11 4.181383e-11 2.6276758e-10 ] [ 1.1516099e-10 2.9109652e-10 3.01324e-12 ] [ 3.0788532e-10 -1.284708e-11 8.154731e-11 ] [ 2.6974519e-10 1.1542076e-10 2.8691594e-10 ] [ 2.5201117e-10 3.3321681e-10 1.9473074e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.68e-05 -3.2e-06 1.44e-05 ] [ 3.12e-05 7.6e-06 -3.18e-05 ] [ -1.43e-05 1.4e-05 1.63e-05 ] [ -3.35e-05 -7.1e-06 3.9e-05 ] [ -2.8e-06 -1.62e-05 -3.03e-05 ] [ -7.4e-06 4.9e-06 -7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.293833343744e-14 -5.126965186560001e-15 2.307134333952e-14 ] [ 4.998791056896e-14 1.217654231808e-14 -5.094921654144e-14 ] [ -2.291112567744e-14 2.24304726912e-14 2.611547891904e-14 ] [ -5.36729167968e-14 -1.137545400768e-14 6.248488821120001e-14 ] [ -4.48609453824e-15 -2.595526125696e-14 -4.854595161024e-14 ] [ -1.185610699392e-14 7.850665441919999e-15 -1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }