{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2449678 -5.2739481 1.8262646 ] [ -0.0458465 0.1856777 -3.3257212 ] [ -0.8080606 0.7246157 2.9890383 ] [ 2.969418 5.3531267 -0.2936522 ] [ 0.7495357 -0.3863123 0.112749 ] [ -0.6734533 0.8711227 -0.7591813 ] [ 0.0533745 -1.4742825 -0.5494972 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.59683492360881e-09 -8.449796345132581e-09 2.925998445514664e-09 ] [ -7.34541904455072e-11 2.974884699439162e-10 -5.328392753938921e-09 ] [ -1.294655801509621e-09 1.160962333604627e-09 4.788967282935776e-09 ] [ 4.757532096982694e-09 8.576654446920256e-09 -4.704826894864857e-10 ] [ 1.200888574994963e-09 -6.189405353874758e-10 1.806438118185792e-10 ] [ -1.078991132460609e-09 1.395692423788172e-09 -1.216342529808551e-09 ] [ 8.55153760468896e-11 -2.362060953954576e-09 -8.803915670350618e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.683702085572456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.070847122189639e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9244303 0.4817007 2.4734771 ] [ 1.5615587 2.3130371 3.0404465 ] [ 1.5211594 2.7926858 5.3221325 ] [ 3.6414134 2.7127508 2.0171637 ] [ 2.7877795 0.9106948 4.7821505 ] [ 4.7893587 1.3999362 3.6476864 ] [ 3.5536481 3.2938816 4.2947183 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9244303e-10 4.817007e-11 2.4734771e-10 ] [ 1.5615587e-10 2.3130371e-10 3.0404465e-10 ] [ 1.5211594e-10 2.7926858e-10 5.322132500000001e-10 ] [ 3.6414134e-10 2.7127508e-10 2.0171637e-10 ] [ 2.7877795e-10 9.106948000000001e-11 4.7821505e-10 ] [ 4.7893587e-10 1.3999362e-10 3.6476864e-10 ] [ 3.5536481e-10 3.2938816e-10 4.294718300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.72e-05 1.17e-05 2.29e-05 ] [ -1.31e-05 -8.5e-06 -1.63e-05 ] [ -2.48e-05 4.9e-06 3.81e-05 ] [ 1.4e-06 -1.32e-05 -6.8e-06 ] [ 2.14e-05 2.43e-05 -4.39e-05 ] [ -2.39e-05 -3.04e-05 -7.8e-06 ] [ 1.18e-05 1.12e-05 1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.357920408576e-14 1.874546646336e-14 3.668984461632e-14 ] [ -2.098851373248e-14 -1.36185012768e-14 -2.611547891904e-14 ] [ -3.973398019584e-14 7.850665441919999e-15 6.104292925248e-14 ] [ 2.24304726912e-15 -2.114873139456e-14 -1.089480102144e-14 ] [ 3.428657968511999e-14 3.893289188544e-14 -7.033555365312e-14 ] [ -3.829202123712e-14 -4.870616927232e-14 -1.249697764224e-14 ] [ 1.890568412544e-14 1.794437815296e-14 2.227025502912e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }