{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5047931999999995 -2.0777838999999996 6.914514799999999 ] [ -0.8646179999999999 -0.8859765999999999 0.4795423999999999 ] [ 2.8552778999999995 -7.206078199999999 -3.7030446999999995 ] [ 7.105847799999999 -3.0019724999999995 2.6507432999999994 ] [ -3.8085494999999994 4.561884399999999 0.17157019999999998 ] [ -7.1055738999999996 7.237168399999999 -1.2104494999999997 ] [ -1.5840805999999998 -1.3500900999999998 -1.3930083999999998 ] [ -0.10309679999999999 2.7228485999999994 -3.9098680999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.615297725778818e-09 -3.328976787654645e-09 1.107827395673559e-08 ] [ -1.385270745522854e-09 -1.419490995095873e-09 7.683116219623218e-10 ] [ 4.574659497266919e-09 -1.154541001969655e-08 -5.932931644117349e-09 ] [ 1.138482321612311e-08 -4.809690155784528e-09 4.24695894300224e-09 ] [ -6.101968968059528e-09 7.308944532472235e-09 2.748857632659801e-10 ] [ -1.138438437994668e-08 1.159522201127254e-08 -1.939353889559049e-09 ] [ -2.537976902782836e-09 -2.163082794193534e-09 -2.231845491058014e-09 ] [ -1.651792826392934e-10 4.36248436889801e-09 -6.264299260231716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.19575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.51745714559216e-18 } }