{ "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" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1193643 -1.4875949 -1.5378318 ] [ 0.0742755 -1.0307655 -0.1212499 ] [ -0.1936399 2.5183605 1.6590816 ] [ 0.6292583 -2.8497647 0.7541962 ] [ -0.6292583 2.8497647 -0.7541962 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.912426908181574e-10 -2.383389770001314e-09 -2.463878156682781e-09 ] [ 1.190024695982304e-10 -1.651468385627223e-09 -1.942637550543379e-10 ] [ -3.102453206340499e-10 4.034858315846199e-09 2.658141751519457e-09 ] [ 1.008182936704353e-09 -4.565826377121126e-09 1.208355519136201e-09 ] [ -1.008182936704353e-09 4.565826377121126e-09 -1.208355519136201e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6407028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.06395787718411e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.094058 1.2305913 2.0224394 ] [ 0.1448657 0.7934065 -0.1335547 ] [ 0.0267647 1.9241 4.1096371 ] [ 2.6382015 0.6051356 2.206813 ] [ 2.174426 2.6811415 1.6573392 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.4058e-12 1.2305913e-10 2.0224394e-10 ] [ 1.448657e-11 7.934065000000001e-11 -1.335547e-11 ] [ 2.67647e-12 1.9241e-10 4.1096371e-10 ] [ 2.6382015e-10 6.051356e-11 2.206813e-10 ] [ 2.174426e-10 2.6811415e-10 1.6573392e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.63e-05 0.0004593 -0.0057181 ] [ 1.7e-06 -0.0004322 0.002733 ] [ -2.8e-05 -2.71e-05 0.0029851 ] [ 0.0 -0.0 0.0 ] [ -0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.213724512704e-14 7.3587972193344e-13 -9.16140613539648e-12 ] [ 2.72370025536e-15 -6.9246073550976e-13 4.3787487046464e-12 ] [ -4.48609453824e-14 -4.341898642368e-14 4.782657430750081e-12 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.5392557 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.368139584157314e-18 } }