{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.002796 -12.2905474 -11.5078536 ] [ -17.6686499 8.7310997 6.215971 ] [ -5.7656333 -9.6614897 13.0014054 ] [ 1.6297205 4.499102 -10.6559673 ] [ 3.2459311 3.2711372 6.7634545 ] [ 14.2285039 -8.2327127 -3.9955282 ] [ 5.3329238 13.6834109 0.1785182 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.606656306631757e-09 -1.969162770111422e-08 -1.843761399350912e-08 ] [ -2.830829779088026e-08 1.398876381321389e-08 9.959083411770797e-09 ] [ -9.237562877365952e-09 -1.547941291944001e-08 2.083054776942287e-08 ] [ 2.611100083538487e-09 7.208356038994522e-09 -1.70727416800693e-08 ] [ 5.200554921147627e-09 5.240939545269174e-09 1.083624867574455e-08 ] [ 2.279657629754162e-08 -1.319025981370324e-08 -6.401541869787106e-09 ] [ 8.544285832867895e-09 2.192324103677989e-08 2.860176864272985e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.112593 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.793453597065736e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5929885 1.729685 1.5579454 ] [ 1.3357462 2.8113867 3.3559691 ] [ 2.5276521 1.6478441 5.0886055 ] [ 3.4573861 3.8851694 0.9668023 ] [ 4.505795 3.2277895 4.4667478 ] [ 4.1922546 1.0034214 3.1886187 ] [ 2.9975955 4.6001869 3.2073572 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5929885e-10 1.729685e-10 1.5579454e-10 ] [ 1.3357462e-10 2.8113867e-10 3.3559691e-10 ] [ 2.5276521e-10 1.6478441e-10 5.0886055e-10 ] [ 3.4573861e-10 3.8851694e-10 9.668023e-11 ] [ 4.505795e-10 3.2277895e-10 4.466747800000001e-10 ] [ 4.1922546e-10 1.0034214e-10 3.1886187e-10 ] [ 2.9975955e-10 4.6001869e-10 3.2073572e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 4.77e-05 2.14e-05 ] [ 1.54e-05 2.8e-05 -1.24e-05 ] [ 1.17e-05 -3.38e-05 -1.08e-05 ] [ -8.9e-06 -2.02e-05 2.93e-05 ] [ 6.7e-06 1.97e-05 1.15e-05 ] [ -9.7e-06 3.9e-06 6.7e-06 ] [ -1.34e-05 -4.53e-05 -4.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-15 7.642382481215999e-14 3.428657968511999e-14 ] [ 2.467351996032e-14 4.48609453824e-14 -1.986699009792e-14 ] [ 1.874546646336e-14 -5.415356978304e-14 -1.730350750464e-14 ] [ -1.425937192512e-14 -3.236396774016e-14 4.694377498944e-14 ] [ 1.073458335936e-14 3.156287942976e-14 1.84250311392e-14 ] [ -1.554111322176e-14 6.24848882112e-15 1.073458335936e-14 ] [ -2.146916671872e-14 -7.257860092224001e-14 -7.305925390848e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }