{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8082182 0.4906216 1.2812366 ] [ 0.5796586 0.4157467 -0.6210645 ] [ -0.7456369 0.4114776 -0.2914536 ] [ 3.8238772 -9.8678341 -3.5214256 ] [ -0.6260161 -1.8535253 2.1723553 ] [ -3.0093159 11.1746003 1.7607052 ] [ -0.8307851 -0.7710867 -0.7803534 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.294908304545059e-09 7.860624571794893e-10 2.052767326233281e-09 ] [ 9.28715456965659e-10 6.660996429147514e-10 -9.950550219088415e-10 ] [ -1.194642008785788e-09 6.592597907028941e-10 -4.669601439679948e-10 ] [ 6.126526650650166e-09 -1.581001309295301e-08 -5.641945768206613e-09 ] [ -1.002988359664395e-09 -2.969674901721306e-09 3.48049687373097e-09 ] [ -4.821455579581711e-09 1.790368334744467e-08 2.820960707560988e-09 ] [ -1.33106446412899e-09 -1.235417083349823e-09 -1.250263973441791e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.145723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.907265315811284e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8860418 2.0089398 1.3895284 ] [ 3.4644212 0.6470006 2.5418484 ] [ 1.8655944 3.4472129 3.2882004 ] [ 5.1914729 2.252221 2.1331646 ] [ 3.8217973 2.3767245 4.1564116 ] [ 4.0096877 4.322026 2.6848356 ] [ 3.7186146 3.2787822 0.5509708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8860418e-10 2.0089398e-10 1.3895284e-10 ] [ 3.4644212e-10 6.470006e-11 2.5418484e-10 ] [ 1.8655944e-10 3.4472129e-10 3.2882004e-10 ] [ 5.1914729e-10 2.252221e-10 2.1331646e-10 ] [ 3.8217973e-10 2.3767245e-10 4.1564116e-10 ] [ 4.0096877e-10 4.322026e-10 2.6848356e-10 ] [ 3.7186146e-10 3.2787822e-10 5.509708e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.43e-05 -3.5e-06 -6.8e-06 ] [ 4e-06 -1.24e-05 9.7e-06 ] [ 1.9e-06 1.41e-05 5.4e-06 ] [ -2.3e-06 1.31e-05 -1.7e-06 ] [ 4.3e-06 -5e-06 -3.7e-06 ] [ -6.3e-06 -7.2e-06 8.9e-06 ] [ 1.27e-05 9e-07 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.291112567744e-14 -5.6076181728e-15 -1.089480102144e-14 ] [ 6.4087064832e-15 -1.986699009792e-14 1.554111322176e-14 ] [ 3.04413557952e-15 2.259069035328e-14 8.65175375232e-15 ] [ -3.68500622784e-15 2.098851373248e-14 -2.72370025536e-15 ] [ 6.889359469440001e-15 -8.010883104e-15 -5.928053496960001e-15 ] [ -1.009371271104e-14 -1.153567166976e-14 1.425937192512e-14 ] [ 2.034764308416e-14 1.44195895872e-15 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }