{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9068645 5.5111437 5.0517674 ] [ -5.0731047 -5.1031399 8.3563309 ] [ -4.1700214 -9.1273686 -3.3060817 ] [ 6.7105178 -2.3231093 2.6115494 ] [ 1.2472898 4.3495725 -5.2395439 ] [ 1.9498895 0.9779063 -0.3312784 ] [ 4.5754896 4.5809258 -5.6469987 ] [ -0.3331961 1.1340695 -1.4957451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.861663583333482e-09 8.82982559000921e-09 8.093823621999602e-09 ] [ -8.128009745210598e-09 -8.176131440451652e-09 1.338831800364862e-08 ] [ -6.681110795315685e-09 -1.462365658034403e-08 -5.296926806194719e-09 ] [ 1.075143473262225e-08 -3.722031408023053e-09 4.184163392744267e-09 ] [ 1.998378556922308e-09 6.968783369974608e-09 -8.394674740235253e-09 ] [ 3.124067370043402e-09 1.566778611193031e-09 -5.307665074560307e-10 ] [ 7.330742465833543e-09 7.339452218379538e-09 -9.047489294827992e-09 ] [ -5.338390015617389e-10 1.816979639262346e-09 -2.396447829896158e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.844967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.102126161754752e-18 } }