{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.7245521 -2.2888659 0.8917243 ] [ -5.0064438 7.6037542 -5.1224207 ] [ 5.1837745 0.7667249 4.3054852 ] [ -0.3528727 -2.3339008 0.3301138 ] [ -1.6754781 -0.7514407 -0.5491056 ] [ -0.3209334 -1.7404748 3.6650749 ] [ -3.5525987 -1.255797 -3.5208718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.17174361473563e-09 -3.66716746333938e-09 1.428699837430006e-09 ] [ -8.02120727579417e-09 1.218255730991936e-08 -8.207022755057923e-09 ] [ 8.305322379825033e-09 1.228428719485986e-09 6.898147785472816e-09 ] [ -5.653643947164917e-10 -3.739321327833907e-09 5.289006169209492e-10 ] [ -2.684411862598715e-09 -1.203940731376604e-09 -8.797641619185503e-10 ] [ -5.141919945501755e-10 -2.788548056625823e-09 5.872097366639886e-09 ] [ -5.691890627118774e-09 -2.012008610447298e-09 -5.641058529269521e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.707416 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.278999786971774e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1398529 1.5497258 2.1004858 ] [ 1.3434828 3.1219529 1.8768449 ] [ 2.0372001 2.4627971 3.9961597 ] [ 2.8934672 4.5693064 3.0550356 ] [ 4.838897 3.123488 2.6292671 ] [ 3.3788175 3.6019367 0.8838504 ] [ 4.0240056 3.3650881 4.7901932 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1398529e-10 1.5497258e-10 2.1004858e-10 ] [ 1.3434828e-10 3.1219529e-10 1.8768449e-10 ] [ 2.0372001e-10 2.4627971e-10 3.996159700000001e-10 ] [ 2.8934672e-10 4.569306400000001e-10 3.0550356e-10 ] [ 4.838897000000001e-10 3.123488e-10 2.6292671e-10 ] [ 3.3788175e-10 3.6019367e-10 8.838504000000001e-11 ] [ 4.0240056e-10 3.3650881e-10 4.7901932e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.55e-05 -2.56e-05 -3.95e-05 ] [ -2.24e-05 1.01e-05 8.8e-06 ] [ -5.34e-05 -9.76e-05 3.66e-05 ] [ 3.11e-05 3.88e-05 -4.49e-05 ] [ 5.43e-05 2.58e-05 6.5e-06 ] [ 1.7e-05 3.1e-06 3.7e-06 ] [ 1.89e-05 4.53e-05 2.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.289903684699999e-14 -4.10157218304e-14 -6.328597704299999e-14 ] [ -3.588875660159999e-14 1.61819840034e-14 1.40991543792e-14 ] [ -8.555623225559998e-14 -1.563724394784e-13 5.86396648044e-14 ] [ 4.982769331739999e-14 6.21644533992e-14 -7.193773086659999e-14 ] [ 8.69981912262e-14 4.133615715719999e-14 1.0414148121e-14 ] [ 2.723700277799999e-14 4.9667475654e-15 5.9280535458e-15 ] [ 3.02811383826e-14 7.25786015202e-14 4.614268705919999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497209018275e-18 } }