{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -30.9940215 22.4347534 -38.284144 ] [ -2.4740489 -21.4748393 55.8504586 ] [ 21.6069961 -16.7908661 -15.5081415 ] [ -26.9863776 48.2339624 -43.7108596 ] [ 38.8474518 -32.4030104 41.6526865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.965789704099363e-08 3.594443768703205e-08 -6.133796096949128e-08 ] [ -3.963863338953403e-09 -3.440648574536491e-08 8.948229976710436e-08 ] [ 3.461822428234912e-08 -2.69019333300427e-08 -2.484678194806571e-08 ] [ -4.323694362702099e-08 7.727932752251456e-08 -7.003251790317458e-08 ] [ 6.224047956440124e-08 -5.191534613413899e-08 6.673496105362724e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 29.702584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.758878605422226e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6537446 0.7078417 0.924294 ] [ 0.8305123 0.2090593 3.2449222 ] [ 0.8440606 -0.77498 -0.8172807 ] [ 1.9303044 2.6896798 1.2530458 ] [ 2.1070882 2.1908835 3.5736702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.537446e-11 7.078417e-11 9.24294e-11 ] [ 8.305123e-11 2.090593e-11 3.2449222e-10 ] [ 8.440606000000001e-11 -7.7498e-11 -8.172807e-11 ] [ 1.9303044e-10 2.6896798e-10 1.2530458e-10 ] [ 2.1070882e-10 2.1908835e-10 3.5736702e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-06 2.1e-05 -8.8e-06 ] [ 8.7e-06 -1.09e-05 1.3e-05 ] [ 3.4e-06 9.9e-06 1.06e-05 ] [ 1e-07 -1.93e-05 -1.25e-05 ] [ -1.11e-05 -6e-07 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.9226119608e-15 3.364570931399999e-14 -1.40991543792e-14 ] [ 1.39389367158e-14 -1.74637253106e-14 2.082829624199999e-14 ] [ 5.4474005556e-15 1.58615486766e-14 1.69830723204e-14 ] [ 1.602176634e-16 -3.09220090362e-14 -2.0027207925e-14 ] [ -1.77841606374e-14 -9.613059803999998e-16 -4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.301703 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.81073244710077e-18 } }