{ "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" [ [ 2.9557178000000004 0.34495630000000005 1.1957216000000002 ] [ -1.1896133000000002 -0.8156590000000002 -0.39724150000000014 ] [ 1.0943224000000003 0.7428847000000001 -0.6187277000000001 ] [ -2.5780582000000005 -0.7495197000000001 0.6886775000000002 ] [ 2.5710065000000006 0.9959184000000002 -0.9689793000000002 ] [ -1.5973584000000005 0.18688780000000002 -1.2626902000000002 ] [ 0.22112100000000007 -0.6962911000000002 -0.21740800000000005 ] [ -1.4771378000000002 -0.009177500000000007 1.5806475000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.735581956842412e-09 5.526809190576712e-10 1.915757192505569e-09 ] [ -1.905970617052737e-09 -1.306829780345108e-09 -6.364510441115235e-10 ] [ 1.753297764897746e-09 1.190232498290022e-09 -9.913110555813564e-10 ] [ -4.130504575101732e-09 -1.20086294016903e-09 1.103382989770992e-09 ] [ 4.119206506224836e-09 1.595637176704543e-09 -1.55247598049915e-09 ] [ -2.559250283518496e-09 2.994272638727463e-10 -2.023052717753277e-09 ] [ 3.542748965679169e-10 -1.115581321691115e-09 -3.483260147748865e-10 ] [ -2.366635648859947e-09 -1.470397593739201e-11 2.532476470225969e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.598028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.460385551698378e-18 } }