{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -1.066153532068786e-09 9.848970619153075e-10 4.157829376934151e-09 ] [ -3.529135431149893e-09 -1.67688579619258e-09 5.80240119329714e-10 ] [ 5.748930150754561e-12 -1.035176087976267e-09 -1.28361616372166e-09 ] [ 2.750148666580842e-09 4.56177655527673e-10 -5.447227475644954e-10 ] [ -3.638692268480196e-09 -1.354531545093848e-09 4.629843426834797e-10 ] [ 2.869066861688819e-09 -3.151497434879808e-10 3.196404843384211e-10 ] [ -1.018803925741298e-09 1.088961317354185e-09 -2.613965255989463e-09 ] [ 3.627820699019758e-09 1.85170713795351e-09 -1.078390476445471e-09 ] ] "source-value" [ [ -0.6654407000000001 0.6147244000000001 2.5951130000000004 ] [ -2.2027131000000004 -1.0466298000000003 0.3621574000000001 ] [ 0.003588200000000001 -0.6461061000000001 -0.8011702000000003 ] [ 1.7165078000000005 0.2847237000000001 -0.33998920000000005 ] [ -2.2710931000000003 -0.8454321000000002 0.28897210000000007 ] [ 1.7907307000000003 -0.19670100000000004 0.19950390000000007 ] [ -0.6358874000000001 0.6796762000000001 -1.6315088000000004 ] [ 2.2643076000000004 1.1557447000000003 -0.6730784000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.808530960830658e-18 "source-value" -36.253999 } }