{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.17829 2.0635174 -1.5336079 ] [ -1.0042504 8.8010885 -1.0406984 ] [ 6.3134354 -5.0426019 5.6207892 ] [ 4.3974533 6.1788073 1.5430585 ] [ 0.5675586 -7.3199855 -4.2130691 ] [ -3.27357 -8.0195264 -14.5501399 ] [ -4.8223369 3.3387005 14.1736676 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.490005311322432e-09 3.306119334894002e-09 -2.457110722854185e-09 ] [ -1.608986512309048e-09 1.410089823229174e-08 -1.667382645783967e-09 ] [ 1.01152385948111e-08 -8.07913887218166e-09 9.005497046685136e-09 ] [ 7.045496868319808e-09 9.899540600488373e-09 2.472252253226717e-09 ] [ 9.09329119853979e-10 -1.1727909632695e-08 -6.750080813834898e-09 ] [ -5.244837320552255e-09 -1.284869770796839e-08 -2.331189397714925e-08 ] [ -7.726235438801148e-09 5.34918788495327e-09 2.270871885971044e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -40.290013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.455171688032808e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4766714 1.9595174 2.6040577 ] [ 2.0945173 3.2075543 4.3820225 ] [ 1.662846 3.9934138 2.3476185 ] [ 4.6355733 1.9772015 2.1527992 ] [ 3.9317651 1.9614676 4.2616189 ] [ 3.233301 3.2330084 0.9698802 ] [ 3.7465309 3.789542 3.041518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4766714e-10 1.9595174e-10 2.6040577e-10 ] [ 2.0945173e-10 3.2075543e-10 4.3820225e-10 ] [ 1.662846e-10 3.9934138e-10 2.3476185e-10 ] [ 4.6355733e-10 1.9772015e-10 2.1527992e-10 ] [ 3.9317651e-10 1.9614676e-10 4.2616189e-10 ] [ 3.233301e-10 3.2330084e-10 9.698802e-11 ] [ 3.746530900000001e-10 3.789542e-10 3.041518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.61e-05 -5.66e-05 -2.72e-05 ] [ -1.07e-05 0.0001077 2.63e-05 ] [ -4.84e-05 -1.23e-05 4.54e-05 ] [ 4.08e-05 -8.19e-05 -5.56e-05 ] [ -3.9e-06 5.32e-05 -0.0001042 ] [ 9.4e-05 1.73e-05 9.98e-05 ] [ -8.79e-05 -2.75e-05 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.579504359488e-14 -9.068319673728001e-14 -4.357920408576e-14 ] [ -1.714328984256e-14 1.7255442206016e-13 4.213724512704e-14 ] [ -7.754534844671999e-14 -1.970677243584e-14 7.273881858432e-14 ] [ 6.536880612864e-14 -1.3121826524352e-13 -8.908102011648e-14 ] [ -6.24848882112e-15 8.523579622656e-14 -1.6694680388736e-13 ] [ 1.506046023552e-13 2.771765553984e-14 1.5989722675584e-13 ] [ -1.4083132496832e-13 -4.4059857072e-14 2.48337376224e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }