{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.68865 0.6317139 0.6916978 ] [ 0.3397713 -0.2519582 -0.3561402 ] [ -2.2567146 0.5908814 1.0275833 ] [ -3.6694225 0.8566971 -1.4391154 ] [ 1.4320997 -1.1421312 0.8781026 ] [ 1.1547108 -3.6261949 -4.6149598 ] [ 2.3109053 2.9409919 3.8128318 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.10333892991392e-09 1.012117241614389e-09 1.108222043818794e-09 ] [ 5.44373633278823e-10 -4.036815374588506e-10 -5.705995021670362e-10 ] [ -3.615655371938024e-09 9.466963647455732e-10 1.646369939184513e-09 ] [ -5.879062941337489e-09 1.37258006472716e-09 -2.30571704851324e-09 ] [ 2.294476657994694e-09 -1.829895906526249e-09 1.406875456383694e-09 ] [ 1.850050647545265e-09 -5.809804691244194e-09 -7.393980697491845e-09 ] [ 3.70247844454281e-09 4.711988464142172e-09 6.108829969002782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.281111 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.089174526724971e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0080643 3.071435 1.1654054 ] [ 1.7107913 1.4443509 2.8555065 ] [ 1.1818243 3.1445133 4.4213722 ] [ 1.4720575 4.7942234 2.7521093 ] [ 3.4685374 2.3939116 4.2135596 ] [ 4.2191401 3.0109582 2.0018873 ] [ 3.6901731 4.7111206 3.567753 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0080643e-10 3.071435e-10 1.1654054e-10 ] [ 1.7107913e-10 1.4443509e-10 2.8555065e-10 ] [ 1.1818243e-10 3.1445133e-10 4.421372200000001e-10 ] [ 1.4720575e-10 4.7942234e-10 2.7521093e-10 ] [ 3.4685374e-10 2.3939116e-10 4.2135596e-10 ] [ 4.2191401e-10 3.0109582e-10 2.0018873e-10 ] [ 3.6901731e-10 4.7111206e-10 3.567753e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-06 9e-07 -2.2e-06 ] [ -1.1e-06 -2.6e-06 7e-07 ] [ -6e-07 3e-07 1e-07 ] [ -2e-07 1.2e-06 9e-07 ] [ 7e-07 1e-07 1.3e-06 ] [ 2.6e-06 -1e-07 -5e-07 ] [ -4e-07 2e-07 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-15 1.44195895872e-15 -3.52478856576e-15 ] [ -1.76239428288e-15 -4.16565921408e-15 1.12152363456e-15 ] [ -9.6130597248e-16 4.8065298624e-16 1.6021766208e-16 ] [ -3.2043532416e-16 1.92261194496e-15 1.44195895872e-15 ] [ 1.12152363456e-15 1.6021766208e-16 2.08282960704e-15 ] [ 4.16565921408e-15 -1.6021766208e-16 -8.010883104e-16 ] [ -6.408706483200001e-16 3.2043532416e-16 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.535655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450392295461462e-18 } }