{ "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" [ [ 0.5231689 0.1640524 1.493785 ] [ 2.625554 0.0718253 0.0473088 ] [ 2.391634 1.372958 2.83206 ] [ 1.806242 1.946446 0.9821647 ] [ 1.54049 2.8226 2.60214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.231689000000001e-11 1.640524e-11 1.493785e-10 ] [ 2.625554e-10 7.18253e-12 4.73088e-12 ] [ 2.391634e-10 1.372958e-10 2.83206e-10 ] [ 1.806242e-10 1.946446e-10 9.821647e-11 ] [ 1.54049e-10 2.8226e-10 2.60214e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.609679 -1.5011858 0.6663521 ] [ 0.5318828 -1.7723255 0.1087899 ] [ 17.105856 -28.2445044 11.4779487 ] [ 0.0388992 -0.8942139 -22.6628756 ] [ -17.066959 32.4122296 10.4097849 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.76813448040486e-10 -2.405164812052597e-09 1.067613764636831e-09 ] [ 8.521701941864951e-10 -2.839578503942367e-09 1.743006357951966e-10 ] [ 2.74066027877687e-08 -4.525268498859019e-08 1.838970121339068e-08 ] [ 6.23233893212928e-11 -1.432688616378013e-09 -3.630992974556873e-08 ] [ -2.7344282923236e-08 5.193011692096317e-08 1.667831413174603e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.60337859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.66719078353866e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.563673 -0.1404209 1.297382 ] [ 2.8463253 0.1915126 0.474812 ] [ 2.2511602 0.9191525 2.7623045 ] [ 1.3327556 2.1339157 0.7039095 ] [ 1.8931748 3.2737219 2.7190504 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.63673e-11 -1.404209e-11 1.297382e-10 ] [ 2.8463253e-10 1.915126e-11 4.74812e-11 ] [ 2.2511602e-10 9.191525e-11 2.7623045e-10 ] [ 1.3327556e-10 2.1339157e-10 7.039095e-11 ] [ 1.8931748e-10 3.2737219e-10 2.7190504e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 8.5e-06 4e-06 ] [ -6.3e-06 1.24e-05 5.4e-06 ] [ -4.6e-06 -9.4e-06 -3.8e-06 ] [ 9e-07 -1.28e-05 -5.7e-06 ] [ 2.7e-06 1.2e-06 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.16958894282e-14 1.3618501389e-14 6.408706535999999e-15 ] [ -1.00937127942e-14 1.98669902616e-14 8.6517538236e-15 ] [ -7.370012516399999e-15 -1.50604603596e-14 -6.088271209199999e-15 ] [ 1.4419589706e-15 -2.05078609152e-14 -9.1324068138e-15 ] [ 4.3258769118e-15 1.9226119608e-15 3.204353268e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.106836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260164301887002e-18 } }