{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4150998 0.4987377 0.027857099999999992 ] [ -0.8459791 0.4739392 -1.7360965999999995 ] [ -0.9185559 0.2357034 -0.28896169999999993 ] [ 1.0874627 0.0539558 0.27261969999999996 ] [ -0.2743894 -1.8448849 0.6445415999999999 ] [ 0.8516633 0.7986554 1.7402519999999995 ] [ -1.1113648 -2.0360066 -2.6757705999999994 ] [ 2.626263 1.8199 2.0155584999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.267239815658756e-09 7.990658828515642e-10 4.463199434328767e-11 ] [ -1.355407935705425e-09 7.593343059206555e-10 -2.781533383970369e-09 ] [ -1.471688787877903e-09 3.776384769230707e-10 -4.629676800466233e-10 ] [ 1.742307313932044e-09 8.644672131656063e-11 4.367849097095097e-10 ] [ -4.396202816753395e-10 -2.955831454846946e-09 1.032669482653025e-09 ] [ 1.364515028053377e-09 1.279587009955672e-09 2.788191068700441e-09 ] [ -1.780602699740068e-09 -3.262042174314497e-09 -4.287057097943988e-09 ] [ 4.20773717867207e-09 2.91580123219392e-09 3.229280706554716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.994339 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.766928842694965e-18 } }