{ "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" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.6695558 -3.1986789 -3.502951 ] [ 9.2410106 0.7167425 -4.7392744 ] [ 3.3231505 -2.0568188 8.9789976 ] [ -5.4749631 2.1975192 -0.8122513 ] [ 4.5803578 2.341236 0.075479 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.869668947788104e-08 -5.124848551026261e-09 -5.61234619600798e-09 ] [ 1.480573113588498e-08 1.148348076633744e-09 -7.593154643235948e-09 ] [ 5.32427403849983e-09 -3.295386994581911e-09 1.438594003293931e-08 ] [ -8.771857878562693e-09 3.520813885999119e-09 -1.301370043074407e-09 ] [ 7.338542182058922e-09 3.751073582975309e-09 1.209306891613632e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.293203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.168499933734842e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8623879 2.6548453 2.5559477 ] [ 3.2804377 2.9268907 2.3772582 ] [ 2.2793305 2.4945359 4.82873 ] [ 0.5800504 5.0989832 2.6462084 ] [ 3.0256701 5.3741259 2.4655157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.623879e-11 2.6548453e-10 2.5559477e-10 ] [ 3.2804377e-10 2.9268907e-10 2.3772582e-10 ] [ 2.2793305e-10 2.4945359e-10 4.82873e-10 ] [ 5.800504e-11 5.0989832e-10 2.6462084e-10 ] [ 3.0256701e-10 5.374125900000001e-10 2.4655157e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 2.04e-05 1.06e-05 ] [ 2.99e-05 4.5e-06 -1.34e-05 ] [ -2.27e-05 -5.6e-06 5.6e-06 ] [ -5e-06 -1.71e-05 1.11e-05 ] [ 1.3e-06 -2.2e-06 -1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 3.268440306432e-14 1.698307218048e-14 ] [ 4.790508096192e-14 7.2097947936e-15 -2.146916671872e-14 ] [ -3.636940929216e-14 -8.972189076479999e-15 8.972189076479999e-15 ] [ -8.010883104e-15 -2.739722021568e-14 1.778416049088e-14 ] [ 2.08282960704e-15 -3.52478856576e-15 -2.211003736704e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.065358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933083450918225e-18 } }