{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.17514920000000003 3.755358700000001 0.5247026000000001 ] [ 2.7336594000000005 -4.7295110000000005 -5.180732600000001 ] [ -2.6488533000000003 4.696866000000001 5.656966200000001 ] [ 0.30117010000000005 -4.406105500000001 0.23589070000000006 ] [ -0.6826806000000001 1.3525584000000002 2.6493427000000005 ] [ -0.18988330000000006 -1.3116546000000002 1.8028200000000005 ] [ 0.3083463000000001 2.1874235000000004 -2.4622771000000006 ] [ 0.003092300000000001 -1.5449354000000004 -3.226712700000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.806199557037928e-10 6.016747961428616e-09 8.406662455190485e-10 ] [ 4.37980521599446e-09 -7.577512014445973e-09 -8.300448718722069e-09 ] [ -4.243930864153792e-09 7.525208958229045e-09 9.063459064967772e-09 ] [ 4.825276970794434e-10 -7.059359279038887e-09 3.779385677179038e-10 ] [ -1.0937749058051e-09 2.167037464600426e-09 4.244714969398473e-09 ] [ -3.042265864468122e-10 -2.101502351998617e-09 2.888436079307881e-09 ] [ 4.940252370403543e-10 3.504638820362499e-09 -3.945002836053282e-09 ] [ 4.954410805318201e-12 -2.475259398919444e-09 -5.169763692571053e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.79963329230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934645279669712e-18 } }