{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.248885800000001 -0.17571850000000003 1.3402694000000002 ] [ -1.4146398000000002 -0.9304092000000003 -0.37375910000000007 ] [ 1.3215941000000002 1.1801429000000003 -0.8575766000000002 ] [ -3.816266600000001 -1.5000103000000005 1.4999783000000002 ] [ 3.7752779000000007 1.8459113000000005 -1.7590364000000005 ] [ -2.5349538000000003 0.8192838000000002 -1.8674031000000004 ] [ 0.12637850000000003 -1.1023975000000001 -0.41475440000000013 ] [ -1.7062762000000005 -0.13680250000000002 2.4322818000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.807465493209107e-09 -2.815320725420449e-10 2.147348298253644e-09 ] [ -2.266502814413188e-09 -1.490679868017232e-09 -5.988280918312494e-10 ] [ 2.117427169207218e-09 1.890797363583113e-09 -1.373989179065154e-09 ] [ -6.114333125259907e-09 -2.403281433619195e-09 2.403230163967329e-09 ] [ 6.048661988402922e-09 2.957475928930536e-09 -2.818286995216198e-09 ] [ -4.06144371316812e-09 1.312637350160183e-09 -2.991909588429445e-09 ] [ 2.024806780717729e-10 -1.766235501328368e-09 -6.645098030539317e-10 ] [ -2.733755836267466e-09 -2.191817671669921e-10 3.896945035157342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.476174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.683909657823282e-18 } }