{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6645631 -6.1131487 -4.7060716 ] [ -5.5580993 7.8489 1.9725815 ] [ 0.0003065 -3.2413523 3.5921629 ] [ -0.4866564 0.1025823 -1.1001549 ] [ 0.3870589 0.430818 -0.7958151 ] [ 1.5466848 0.0365685 -0.2481809 ] [ 1.4461424 0.9356322 1.2854781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.269100703466372e-09 -9.794343926613913e-09 -7.53995789333085e-09 ] [ -8.905056754544845e-09 1.257532407899712e-08 3.160423961922595e-09 ] [ 4.910671342752e-13 -5.193218874836308e-09 5.755279416485129e-09 ] [ -7.797095064426932e-10 1.643549627678919e-10 -1.762642460038562e-09 ] [ 6.20136720452565e-10 6.902465274198144e-10 -1.275036347699614e-09 ] [ 2.478062226306724e-09 5.85891957577248e-11 -3.976296357091027e-10 ] [ 2.316975543627602e-09 1.49904803650767e-09 2.059562958370404e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.5793941589289275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.939174879664007e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.294391 1.2174602 2.0493031 ] [ 1.3528529 3.3137901 2.9612898 ] [ 2.444549 1.6885935 4.3979452 ] [ 3.1216928 3.3485119 1.2342306 ] [ 4.4177472 2.907732 5.0107404 ] [ 4.4854552 2.0410048 2.8131951 ] [ 3.49273 4.3883905 3.3653418 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.294391e-10 1.2174602e-10 2.0493031e-10 ] [ 1.3528529e-10 3.3137901e-10 2.9612898e-10 ] [ 2.444549e-10 1.6885935e-10 4.3979452e-10 ] [ 3.1216928e-10 3.3485119e-10 1.2342306e-10 ] [ 4.4177472e-10 2.907732e-10 5.0107404e-10 ] [ 4.4854552e-10 2.0410048e-10 2.8131951e-10 ] [ 3.49273e-10 4.3883905e-10 3.3653418e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.79e-05 2.64e-05 -2.7e-06 ] [ -2.39e-05 -2.08e-05 -2.45e-05 ] [ 1.07e-05 -6.8e-06 -3.16e-05 ] [ -1.57e-05 -7.9e-06 1.12e-05 ] [ 2.11e-05 3.3e-05 6.16e-05 ] [ 5.77e-05 -5.55e-05 -2.18e-05 ] [ -2e-06 3.16e-05 7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.674426013632e-14 4.229746278912e-14 -4.32587687616e-15 ] [ -3.829202123712e-14 -3.332527371264e-14 -3.92533272096e-14 ] [ 1.714328984256e-14 -1.089480102144e-14 -5.062878121728e-14 ] [ -2.515417294656e-14 -1.265719530432e-14 1.794437815296e-14 ] [ 3.380592669888e-14 5.28718284864e-14 9.869407984128002e-14 ] [ 9.244559102016e-14 -8.892080245440001e-14 -3.492745033344e-14 ] [ -3.2043532416e-15 5.062878121728e-14 1.249697764224e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }