{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4597457 0.6792324 -0.2169778 ] [ -0.371032 -1.2308896 1.9468086 ] [ 0.0291772 0.9473453 -1.3559796 ] [ 1.3236384 -0.4236976 -0.9730582 ] [ -0.0571807 0.4829886 0.5043267 ] [ -1.620909 -1.1980841 1.2656065 ] [ 0.258475 -0.2167395 -3.0562499 ] [ 1.8975768 0.9598443 1.8855237 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.33877043285333e-09 1.088250271369874e-09 -3.476367583926182e-10 ] [ -5.944587959686656e-10 -1.972102539905864e-09 3.119131224092379e-09 ] [ 4.674702770040576e-11 1.517814491484762e-09 -2.172518813401736e-09 ] [ 2.120702498873119e-09 -6.788383890090701e-10 -1.559011098717731e-09 ] [ -9.161358070097855e-11 7.73833043032923e-10 8.080204479852154e-10 ] [ -2.596982504244307e-09 -1.919542334772209e-09 2.027725145432515e-09 ] [ 4.1412260206128e-10 -3.472549597038816e-10 -4.896652137102338e-09 ] [ 3.040253185132478e-09 1.537840097068141e-09 3.020941990104313e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.151215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.792063148651427e-18 } }