{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0909404 0.3504436 2.335509 ] [ 2.174921 0.6476227 0.0631824 ] [ 2.07151 0.3484765 2.894541 ] [ 2.345183 1.577217 1.820601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.09404e-12 3.504436000000001e-11 2.335509e-10 ] [ 2.174921e-10 6.476227e-11 6.31824e-12 ] [ 2.07151e-10 3.484765e-11 2.894541e-10 ] [ 2.345183e-10 1.577217e-10 1.820601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8285414 0.2106771 -0.9454642 ] [ 0.0072714 -2.8321405 -9.2365321 ] [ -0.5490077 -24.0581494 24.820026 ] [ 5.3702776 26.6796129 -14.6380297 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.736176143644902e-09 3.375419241579437e-10 -1.514800637043375e-09 ] [ 1.165006708048512e-11 -4.537589295920822e-09 -1.479855578788873e-08 ] [ -8.796073015791801e-10 -3.854540450839355e-08 3.976606538484814e-08 ] [ 8.604133217925934e-09 4.274545204037409e-08 -2.345270895991604e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.10832643 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735580735607278e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.0536522 0.6101434 2.5424513 ] [ 2.461461 0.6846564 -0.383085 ] [ 2.1801675 -0.0005253 3.3335342 ] [ 1.9872737 1.6294853 1.6209328 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.36522e-12 6.101434e-11 2.5424513e-10 ] [ 2.461461e-10 6.846564000000001e-11 -3.83085e-11 ] [ 2.1801675e-10 -5.253e-14 3.3335342e-10 ] [ 1.9872737e-10 1.6294853e-10 1.6209328e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 0.0 3e-07 ] [ 2e-07 3e-07 -3e-07 ] [ 0.0 -0.0 3e-07 ] [ 1e-07 -3e-07 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 0.0 4.8065298624e-16 ] [ 3.2043532416e-16 4.8065298624e-16 -4.8065298624e-16 ] [ 0.0 0.0 4.8065298624e-16 ] [ 1.6021766208e-16 -4.8065298624e-16 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -9.5852195 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.535721458813627e-18 } }