{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9251603 -2.7139701 -5.5520268 ] [ -3.9633818 -5.053968 6.5335552 ] [ 1.3773432 4.9220952 -2.5641693 ] [ -1.1022666 5.7678813 4.6704164 ] [ 4.5343034 -6.0645171 -5.8505906 ] [ 5.3626472 1.9976211 3.4268537 ] [ -0.2834851 1.1448576 -0.6640386 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.493153307152313e-09 -4.348259443770238e-09 -8.895327537015038e-09 ] [ -6.350037659264222e-09 -8.097349371871335e-09 1.046790939214627e-08 ] [ 2.206747073857858e-09 7.886065854791901e-09 -4.108252104233101e-09 ] [ -1.766025776408705e-09 9.241164570409512e-09 7.4828319654809e-09 ] [ 7.264754899093951e-09 -9.716427514061815e-09 -9.373679477192245e-09 ] [ 8.59190796943858e-09 3.200541823636779e-09 5.490424881041977e-09 ] [ -4.541931995651501e-10 1.834264080865198e-09 -1.063907120228763e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5013454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.609773741225624e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5956894 1.8739917 2.2122532 ] [ 1.2841 1.7503464 4.6064205 ] [ 2.3905378 4.209416 2.4688958 ] [ 2.4012429 3.8703388 4.9258844 ] [ 3.8723434 1.1789408 1.7901587 ] [ 4.7717466 3.407852 4.8199814 ] [ 4.7194079 3.3585503 2.4035271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5956894e-10 1.8739917e-10 2.2122532e-10 ] [ 1.2841e-10 1.7503464e-10 4.6064205e-10 ] [ 2.3905378e-10 4.209416e-10 2.4688958e-10 ] [ 2.4012429e-10 3.8703388e-10 4.9258844e-10 ] [ 3.8723434e-10 1.1789408e-10 1.7901587e-10 ] [ 4.7717466e-10 3.407852e-10 4.8199814e-10 ] [ 4.7194079e-10 3.3585503e-10 2.4035271e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.53e-05 -1.2e-05 -2.67e-05 ] [ 1.31e-05 -1.7e-06 1.62e-05 ] [ -9.5e-06 6.82e-05 -5.6e-06 ] [ -2.92e-05 -1.95e-05 4.7e-06 ] [ 2.45e-05 -1.4e-05 2.97e-05 ] [ 2.49e-05 -6.6e-06 -2.1e-06 ] [ 1.5e-06 -1.44e-05 -1.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.053506850624e-14 -1.92261194496e-14 -4.277811577536e-14 ] [ 2.098851373248e-14 -2.72370025536e-15 2.595526125696e-14 ] [ -1.52206778976e-14 1.0926844553856e-13 -8.972189076479999e-15 ] [ -4.678355732736e-14 -3.12424441056e-14 7.53023011776e-15 ] [ 3.92533272096e-14 -2.24304726912e-14 4.758464563776e-14 ] [ 3.989419785791999e-14 -1.057436569728e-14 -3.36457090368e-15 ] [ 2.4032649312e-15 -2.307134333952e-14 -2.595526125696e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }