{ "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" [ [ 5.0585244000000005 0.8680844000000002 2.5343206000000005 ] [ -2.0428852000000006 -1.5497371000000004 -0.5169067000000002 ] [ 2.1068734000000005 1.4120154000000003 -1.2328205000000003 ] [ -4.595027800000001 -1.2769656000000003 0.9464185000000003 ] [ 4.491843800000001 1.7732240000000004 -1.4162413000000003 ] [ -2.6009114000000007 0.10923700000000003 -2.3949236000000003 ] [ 0.4817205000000001 -1.1186829000000003 -0.36001510000000003 ] [ -2.9001376000000003 -0.21717510000000007 2.4401682000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.10464952942635e-09 1.390824530561196e-09 4.060429214931829e-09 ] [ -3.273062906418333e-09 -2.482952550006393e-09 -8.281758298748796e-10 ] [ 3.375583304465407e-09 2.262298062089561e-09 -1.975196182742967e-09 ] [ -7.36204611308606e-09 -2.045924429885845e-09 1.516329594192605e-09 ] [ 7.196727120645433e-09 2.84101803624146e-09 -2.2690687002714e-09 ] [ -4.167119437852199e-09 1.750169675263296e-10 -3.837090600522172e-09 ] [ 7.718013228600865e-10 -1.792327588468745e-09 -5.768077763549742e-10 ] [ -4.646532659823023e-09 -3.479528678399021e-10 3.90958044085962e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.031829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.612717740766345e-18 } }