{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1119827 0.0517218 0.0610915 ] [ 0.0515998 0.0240304 -0.1688536 ] [ 0.043786 0.0207188 -0.0431152 ] [ 0.1148447 0.0232836 0.1117629 ] [ -0.0866629 -0.0527576 0.0133861 ] [ 0.0609897 -0.0411078 0.1897893 ] [ -0.0211518 0.0311109 0.1024754 ] [ -0.0514229 -0.0570001 -0.2665364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.794160638740602e-10 8.286745874569345e-11 9.78793730296032e-11 ] [ 8.267199319795584e-11 3.850094506847232e-11 -2.705332902579149e-10 ] [ 7.01529055183488e-11 3.319517697103104e-11 -6.907816544111617e-11 ] [ 1.840014933627897e-10 3.730443956805888e-11 1.790639054528083e-10 ] [ -1.388492722707283e-10 -8.452699328951808e-11 2.144689646369088e-11 ] [ 9.771627144960576e-11 -6.586195609252224e-11 3.040759793379975e-10 ] [ -3.388891944783744e-11 4.984515663204672e-11 1.641836900871283e-10 ] [ -8.238856815373632e-11 -9.132422760326208e-11 -4.270383886721971e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 30.263948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.848818993870692e-18 } }