{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8644198 -0.4525605 -0.3518762 ] [ 1.5669562 0.02596 1.3738532 ] [ 0.6739722 -0.1946599 0.6314328 ] [ 1.8297512 0.8959019 -0.5981499 ] [ -1.5908587 -1.427071 -0.0403711 ] [ -1.2547824 -0.499365 -0.7492216 ] [ 0.6393812 1.6517946 -0.2656671 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.987129814916612e-09 -7.250818525975584e-10 -5.637678210559449e-10 ] [ 2.510540589457609e-09 4.1592505075968e-11 2.201155477451267e-09 ] [ 1.079822501909142e-09 -3.118795407872659e-10 1.011666869766282e-09 ] [ 2.931584594520745e-09 1.4353930787103e-09 -9.58341785513858e-10 ] [ -2.548836616136281e-09 -2.286419792421677e-09 -6.468163257597888e-11 ] [ -2.010383025471314e-09 -8.00070928245792e-10 -1.200385331318369e-09 ] [ 1.024401610419049e-09 2.646466690483687e-09 -4.256456165357357e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.45753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.117439966451462e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1626727 0.6503257 1.497617 ] [ 2.0121853 0.8519527 2.2541173 ] [ 2.4452399 3.0982576 2.9536416 ] [ 2.0500156 0.1503511 4.5766251 ] [ 4.1846953 0.6541509 3.4991147 ] [ 3.0923257 2.2557053 5.1834646 ] [ 4.7722147 3.0068227 3.5546497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.626727e-11 6.503257e-11 1.497617e-10 ] [ 2.0121853e-10 8.519527000000001e-11 2.2541173e-10 ] [ 2.4452399e-10 3.0982576e-10 2.9536416e-10 ] [ 2.0500156e-10 1.503511e-11 4.5766251e-10 ] [ 4.1846953e-10 6.541509e-11 3.4991147e-10 ] [ 3.0923257e-10 2.2557053e-10 5.1834646e-10 ] [ 4.772214700000001e-10 3.0068227e-10 3.5546497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001156 -0.000332 -0.0004428 ] [ 0.0001408 0.0004144 0.0002269 ] [ 0.0009776 -0.0012778 0.0008038 ] [ -0.0003354 9.55e-05 2.5e-05 ] [ -0.0003732 0.0013677 -0.0005188 ] [ 0.0004293 0.0004957 4.81e-05 ] [ -0.0007236 -0.0007635 -0.0001423 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.8521161736448e-13 -5.319226381056e-13 -7.0944380769024e-13 ] [ 2.2558646820864e-13 6.6394199165952e-13 3.635338752595201e-13 ] [ 1.56628786449408e-12 -2.04726128605824e-12 1.28782956779904e-12 ] [ -5.3737003861632e-13 1.530078672864e-13 4.005441552e-14 ] [ -5.979323148825599e-13 2.19129696426816e-12 -8.312092308710401e-13 ] [ 6.8781442330944e-13 7.941989509305599e-13 7.706469546047999e-14 ] [ -1.15933500281088e-12 -1.2232618499808e-12 -2.2798973313984e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.452534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.276857181091711e-18 } }