{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7463697 -14.8441738 -5.9738808 ] [ 1.2196194 0.3372692 -1.9880725 ] [ -12.1001378 -0.5993146 -4.5098345 ] [ -9.6611458 -6.4414988 17.0840505 ] [ -1.1535917 22.4016727 -3.328705 ] [ 9.2729506 5.9540341 -9.7633815 ] [ 16.168675 -6.8079889 8.4798239 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.00234594621351e-09 -2.378298821745189e-08 -9.571212153206e-09 ] [ 1.954045688954124e-09 5.403648271559194e-10 -3.185243279955408e-09 ] [ -1.938655789161835e-08 -9.602078406241037e-10 -7.225551399577258e-09 ] [ -1.547886193090011e-08 -1.032041878027126e-08 2.737166629966655e-08 ] [ -1.848257651688928e-09 3.589143626675361e-08 -5.333173328540064e-09 ] [ 1.485690465715333e-08 9.53941423446597e-09 -1.564266157925123e-08 ] [ 2.590507307431344e-08 -1.090760065024591e-08 1.358617560108108e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.07318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.216077970111015e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1986959 0.5617048 3.0169316 ] [ 2.4769993 2.9500805 0.5990478 ] [ 0.9378265 2.6557786 1.9925009 ] [ 1.9374675 2.727924 5.0659096 ] [ 2.6888358 4.2926673 4.016585 ] [ 4.3297695 3.2087078 1.545307 ] [ 4.5993585 1.5312701 4.1414715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1986959e-10 5.617048e-11 3.0169316e-10 ] [ 2.4769993e-10 2.9500805e-10 5.990478e-11 ] [ 9.378265e-11 2.6557786e-10 1.9925009e-10 ] [ 1.9374675e-10 2.727924e-10 5.0659096e-10 ] [ 2.6888358e-10 4.2926673e-10 4.016585e-10 ] [ 4.3297695e-10 3.2087078e-10 1.545307e-10 ] [ 4.5993585e-10 1.5312701e-10 4.1414715e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.7324044 -1.7643095 1.6622699 ] [ -0.3411426 1.1112081 -1.5107304 ] [ 2.7593518 -0.2402541 -1.2681092 ] [ -0.7091311 0.6326918 -0.1208493 ] [ 0.5585634 1.0685639 2.1526349 ] [ -3.1233715 -0.3579833 -0.4016616 ] [ 0.1233255 -0.4499169 -0.5135543 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.173441206651052e-09 -2.826735432755338e-09 2.663249971239554e-09 ] [ -5.465706980789262e-10 1.780351638663589e-09 -2.420456927211833e-09 ] [ 4.420968942522398e-09 -3.849295020713453e-10 -2.031734912861392e-09 ] [ -1.136153269502187e-09 1.01368401013187e-09 -1.936219231000454e-10 ] [ 8.949172207145589e-10 1.712028098410869e-09 3.448901309898146e-09 ] [ -5.004192795373028e-09 -5.735524738968327e-10 -6.435328249931213e-10 ] [ 1.975892328484704e-10 -7.208463384828116e-10 -8.228046929713095e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.68305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.474007577763744e-18 } }