{ "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" [ [ 3.1241769999999995 -2.0704432999999995 7.030049199999999 ] [ -1.5056468999999997 -0.5063525999999999 0.8586301999999999 ] [ 0.6841247999999999 -4.975488999999999 -2.1343436999999996 ] [ 4.955696499999999 -0.7456735999999999 1.8289386999999997 ] [ -1.8919226999999998 2.5987342999999994 0.7152050999999999 ] [ -5.2249973999999995 4.910408799999999 -2.2843887999999994 ] [ -0.5048824999999999 -0.9357532999999999 -2.1400590999999998 ] [ 0.3634513999999999 1.7245685999999998 -3.8740313999999993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.005483348641081e-09 -3.317215849952e-09 1.126338047131374e-08 ] [ -2.412312262359995e-09 -8.11266297601294e-10 1.375677232352828e-09 ] [ 1.096088760269476e-09 -7.971612152847569e-09 -3.419595576891769e-09 ] [ 7.939901072080386e-09 -1.194700808667771e-09 2.930282826016344e-09 ] [ -3.031194318300812e-09 4.163631339131053e-09 1.145884890296926e-09 ] [ -8.371368678020786e-09 7.867342177930582e-09 -3.659994328177367e-09 ] [ -8.089109377510558e-10 -1.499242060096449e-09 -3.428752657150289e-09 ] [ 5.82313335877029e-10 2.763063491885787e-09 -6.206882537325092e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.943284 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.797442957477471e-18 } }