{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.3009463 -5.7697355 -17.4364543 ] [ -11.7684122 7.1738669 -4.6571362 ] [ -1.7704573 -9.0579564 19.1304831 ] [ -9.8402093 14.9562308 -16.2635515 ] [ 2.8115208 -0.3746654 0.5461944 ] [ 10.4519449 1.3469423 -2.0733667 ] [ 5.8146668 -8.2746827 20.7538311 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.890875609176262e-09 -9.244135326299799e-09 -2.793627942910763e-08 ] [ -1.88550748907775e-08 1.149380182791097e-08 -7.461554739521354e-09 ] [ -2.836585294184692e-09 -1.451244597630573e-08 3.065041276742951e-08 ] [ -1.576575328423873e-08 2.396252332304888e-08 -2.605708198447677e-08 ] [ 4.504552894652912e-09 -6.002801445026802e-10 8.750998980918834e-10 ] [ 1.674586176066979e-08 2.15803946262658e-09 -3.321899653085247e-09 ] [ 9.316123204701951e-09 -1.325750316647822e-08 3.325130298045195e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6488705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.545919473222681e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8498208 1.6304316 0.7346633 ] [ 0.8821406 2.6607124 1.8108642 ] [ 1.6051984 1.6001881 3.9189244 ] [ 2.3282696 4.5737767 2.3942433 ] [ 3.8760052 1.0022836 2.965315 ] [ 4.4360305 3.3053407 1.7844555 ] [ 3.472035 3.2819358 4.2506883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8498208e-10 1.6304316e-10 7.346633000000001e-11 ] [ 8.821406e-11 2.6607124e-10 1.8108642e-10 ] [ 1.6051984e-10 1.6001881e-10 3.9189244e-10 ] [ 2.3282696e-10 4.5737767e-10 2.3942433e-10 ] [ 3.8760052e-10 1.0022836e-10 2.965315e-10 ] [ 4.4360305e-10 3.3053407e-10 1.7844555e-10 ] [ 3.472035e-10 3.2819358e-10 4.2506883e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.24e-05 3.46e-05 3.74e-05 ] [ 5.22e-05 -2.75e-05 -7.7e-06 ] [ 6.2e-06 3.75e-05 -4.92e-05 ] [ 2.9e-06 -7.41e-05 2.67e-05 ] [ -3.2e-05 6.59e-05 9.2e-06 ] [ -2.62e-05 -2.16e-05 -1.23e-05 ] [ 1.93e-05 -1.49e-05 -4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.588875630592e-14 5.543531107968001e-14 5.992140561792e-14 ] [ 8.363361960576001e-14 -4.4059857072e-14 -1.233675998016e-14 ] [ 9.93349504896e-15 6.008162327999999e-14 -7.882708974336e-14 ] [ 4.646312200320001e-15 -1.1872128760128e-13 4.277811577536e-14 ] [ -5.12696518656e-14 1.0558343931072e-13 1.474002491136e-14 ] [ -4.197702746496e-14 -3.460701500928e-14 -1.970677243584e-14 ] [ 3.092200878144e-14 -2.387243164992e-14 -6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }