{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44972e-10 0.0 0.0 ] "source-value" [ 5.44972 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] "source-value" [ -0.0609808 5.45304 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] "source-value" [ -0.0674249 -0.145247 5.63878 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.63722727851558e-09 -3.842421683010221e-10 6.97215499045542e-09 ] [ 2.556320303023207e-08 -2.779118631432798e-08 -2.120167756404161e-08 ] [ -2.042214285506824e-08 2.508990147119895e-08 2.652295457095457e-08 ] [ -8.212322014789397e-08 -7.445491188547083e-08 5.715208210154143e-08 ] [ 7.681533909992518e-08 6.066804379564446e-08 -7.057707697217573e-08 ] [ 4.531736384507379e-09 1.180288541027728e-08 6.96897835486936e-09 ] [ -5.344700508673735e-08 -4.102112307073936e-08 -5.156701696794411e-08 ] [ 4.744486229651934e-08 4.609063276171852e-08 4.572960164655836e-08 ] ] "source-value" [ [ 1.0218769000000003 -0.23982510000000007 4.351676900000001 ] [ 15.955296500000003 -17.345894300000005 -13.233046400000003 ] [ -12.746499100000003 15.659884900000003 16.554326300000003 ] [ -51.25728280000001 -46.47110120000001 35.67152420000001 ] [ 47.94436400000001 37.86601490000001 -44.05074700000001 ] [ 2.8284874000000007 7.3667817000000015 4.349694200000001 ] [ -33.35899700000001 -25.603371400000007 -32.18560070000001 ] [ 29.612754100000007 28.767510500000007 28.542172600000008 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.873445308994756e-19 "source-value" -6.1625199 } }