{ "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" [ [ -0.09805220000000003 2.7713862000000002 0.24832940000000006 ] [ 1.1886982000000001 -2.4991629000000004 -3.667851900000001 ] [ -0.8288614000000002 2.3448783000000004 4.405654000000001 ] [ 0.4184296000000001 -3.148821400000001 0.17252590000000004 ] [ -1.0912707000000001 1.4345410000000003 3.1233758000000007 ] [ -0.09135920000000002 -0.9446806000000002 1.2716652000000002 ] [ 0.07325930000000001 1.4267430000000003 -1.9162827000000004 ] [ 0.4291563000000001 -1.3848835000000002 -3.637415600000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.570969437522948e-10 4.440250213430051e-09 3.978675622152397e-10 ] [ 1.904504480917859e-09 -4.004100402939679e-09 -5.876546611152506e-09 ] [ -1.327982367904528e-09 3.756909221833643e-09 7.058635896288637e-09 ] [ 6.703981280939665e-10 -5.044968071719168e-09 2.764169657398206e-10 ] [ -1.748408416908824e-09 2.298388070714994e-09 5.004199725961057e-09 ] [ -1.463735755409328e-10 -1.513545183913101e-09 2.037432269710937e-09 ] [ 1.173743386831962e-10 2.285894297323062e-09 -3.070223366078432e-09 ] [ 6.875841961938943e-10 -2.218827984512139e-09 -5.827782282467092e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.797028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.254663192624375e-18 } }