{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.216175 0.79421 -0.0923273 ] [ 1.4422968 0.1249282 1.1187709 ] [ -1.1883493 -0.752689 -1.2877203 ] [ 0.7885273 1.788282 0.4836995 ] [ -1.2586498 -1.9547312 -0.2224228 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.4635053100144e-10 1.272464694005568e-09 -1.479246415215878e-10 ] [ 2.310814213214654e-09 2.001570413186266e-10 1.792468580011375e-09 ] [ -1.903945465804045e-09 -1.205940718533331e-09 -2.063155358789562e-09 ] [ 1.263360004922548e-09 2.865143611797466e-09 7.749720303926496e-10 ] [ -2.016579283334596e-09 -3.131824628588329e-09 -3.563606100928743e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.828395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.176859089698762e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3438498 1.8736881 1.2292296 ] [ 1.075922 1.7714671 3.3754861 ] [ 0.5692162 3.3480388 1.7011447 ] [ 2.5641708 3.7159131 2.8972122 ] [ 3.4200792 1.5593379 3.3001384 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3438498e-10 1.8736881e-10 1.2292296e-10 ] [ 1.075922e-10 1.7714671e-10 3.3754861e-10 ] [ 5.692161999999999e-11 3.3480388e-10 1.7011447e-10 ] [ 2.5641708e-10 3.7159131e-10 2.8972122e-10 ] [ 3.4200792e-10 1.5593379e-10 3.3001384e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 -6.9e-06 8.7e-06 ] [ 1.01e-05 4.7e-06 -9.1e-06 ] [ -3.44e-05 2.8e-05 -9.5e-06 ] [ -1.03e-05 -5.1e-06 -5.5e-06 ] [ 2.68e-05 -2.07e-05 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.233675998016e-14 -1.105501868352e-14 1.393893660096e-14 ] [ 1.618198387008e-14 7.53023011776e-15 -1.457980724928e-14 ] [ -5.511487575552001e-14 4.48609453824e-14 -1.52206778976e-14 ] [ -1.650241919424e-14 -8.17110076608e-15 -8.8119714144e-15 ] [ 4.293833343744e-14 -3.316505605055999e-14 2.48337376224e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }