{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0063329 -1.9653455 -2.2692516 ] [ -1.3770849 -0.0980896 0.5363044 ] [ -3.0312851 -3.717287 -3.4745894 ] [ -1.1329972 0.6909084 11.3880133 ] [ 0.4092205 7.2953775 -0.1414733 ] [ 0.3407008 -0.6370461 0.1076399 ] [ -1.5554942 2.2932548 -1.716248 ] [ 4.3406072 -3.8617725 -4.4303955 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.214499665921864e-09 -3.148830611894487e-09 -3.635741860232993e-09 ] [ -2.206333231636706e-09 -1.571568638636237e-10 8.592543713121715e-10 ] [ -4.856654118199389e-09 -5.95575032420377e-09 -5.566905903559501e-09 ] [ -1.815261625271862e-09 1.106957285594335e-09 1.824560866661946e-08 ] [ 6.556435178520864e-10 1.168848327041035e-08 -2.266652137274246e-10 ] [ 5.458628564478566e-10 -1.020660367791819e-09 1.724581312452499e-10 ] [ -2.49217644103e-09 3.67419922609738e-09 -2.749732421094758e-09 ] [ 6.95441937591615e-09 -6.187241614348367e-09 -7.098276090997527e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.779203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.688324676225722e-18 } }