{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6235634 -2.8135748 -0.7160143 ] [ -0.6072984 1.6904995 0.0325429 ] [ -5.3852916 4.2821729 -0.5362768 ] [ 0.9461921 -1.8538305 -0.0492735 ] [ 0.0 0.0 0.0 ] [ 2.8490226 -0.1733409 -0.254918 ] [ 2.8209388 -1.1319262 1.5239396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.990587010665587e-10 -4.507843765432036e-09 -1.147181371618477e-09 ] [ -9.729992983292468e-10 2.708478776374089e-09 5.213947355303232e-11 ] [ -8.628188297710627e-09 6.860797306603336e-09 -8.592101512374374e-10 ] [ 1.515966861405656e-09 -2.970163886025974e-09 -7.894484972498881e-11 ] [ 0.0 0.0 0.0 ] [ 4.564637401850831e-09 -2.777227374084307e-10 -4.084236598210944e-10 ] [ 4.519642194067607e-09 -1.813545694110985e-09 2.441620398631304e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6348283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.223234340608221e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.265824 2.614617 3.5147057 ] [ 4.048819 3.6805456 0.6137264 ] [ 1.5491351 3.8500605 3.3538167 ] [ 3.9128574 2.3549041 -1.1366504 ] [ 6.0168379 1.4070966 5.2069281 ] [ 3.6705491 3.9580212 2.769977 ] [ 5.1509125 3.1604079 4.2033797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.65824e-11 2.614617e-10 3.5147057e-10 ] [ 4.048819e-10 3.6805456e-10 6.137264e-11 ] [ 1.5491351e-10 3.8500605e-10 3.3538167e-10 ] [ 3.9128574e-10 2.3549041e-10 -1.1366504e-10 ] [ 6.0168379e-10 1.4070966e-10 5.2069281e-10 ] [ 3.6705491e-10 3.9580212e-10 2.769977e-10 ] [ 5.1509125e-10 3.1604079e-10 4.2033797e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0623855 0.1464302 0.0252668 ] [ 0.0425681 0.1291364 0.0244334 ] [ -0.6038461 -0.0236982 0.1614111 ] [ 0.0315839 0.0040092 -0.1318864 ] [ 0.1033728 -0.0467664 0.0989478 ] [ 0.6145101 -0.5071068 0.0893887 ] [ -0.2505742 0.2979956 -0.2675614 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.995258957691841e-11 2.346070430190682e-10 4.048187624242944e-11 ] [ 6.820161461187647e-11 2.068993209742772e-10 3.914662224665472e-11 ] [ -9.67468103981259e-10 -3.796870199504256e-11 2.586090907576109e-10 ] [ 5.060298617368512e-11 6.42344650811136e-12 -2.113053066814771e-10 ] [ 1.656214833866343e-10 -7.492803271898112e-11 1.585318518395942e-10 ] [ 9.8455371546547e-10 -8.124746592087014e-10 1.432164853037049e-10 ] [ -4.014641250156634e-10 4.774415834212685e-10 -4.286806197085171e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.569418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.49449575190627e-18 } }