{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1563006000000002 -1.3394823000000002 0.7247314000000001 ] [ -0.41311740000000013 -0.13433050000000002 -0.4401382000000001 ] [ 0.7996517000000002 -1.6727098000000005 1.3939746000000002 ] [ -0.26863580000000004 1.9154336000000005 0.9253255000000002 ] [ 0.3841661000000001 -0.5199855000000001 0.8279707000000002 ] [ -1.0853351000000002 0.8437276000000002 -1.1628187000000003 ] [ 0.22605990000000006 -0.8334744000000002 -1.6990443000000004 ] [ -1.7990901000000004 1.7408212000000005 -0.5700010000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.454774408737013e-09 -2.146087225035412e-09 1.161147705439653e-09 ] [ -6.618870399256822e-10 -2.152211865603744e-10 -7.051791339609947e-10 ] [ 1.281183258522976e-09 -2.679976534943045e-09 2.233393514109032e-09 ] [ -4.304019982699048e-10 3.06886293261478e-09 1.482534882730071e-09 ] [ 6.15501943923915e-10 -8.331086112549987e-10 1.326555298247411e-09 ] [ -1.73889852295363e-09 1.351800635043694e-09 -1.863040935369049e-09 ] [ 3.62187886680386e-10 -1.335373197715308e-09 -2.722169055163502e-09 ] [ -2.882460096932734e-09 2.789103027633002e-09 -9.132422760326209e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.9792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.764503307508737e-18 } }