{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7761245 -24.9516294 -8.8976496 ] [ 5.0331395 -47.7444622 69.4039802 ] [ -20.5684577 62.0653379 -66.7837999 ] [ 2.7812958 2.0116566 0.0597776 ] [ 7.0517886 -2.5023848 1.2333497 ] [ -0.1006395 -0.467731 0.6340623 ] [ 7.5789977 11.5892129 4.3502797 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.845665172974933e-09 -3.997691760490744e-08 -1.425560628663944e-08 ] [ 8.063978502562442e-09 -7.649506173973622e-08 1.111974353830386e-07 ] [ -3.295430232435738e-08 9.943963416469462e-08 -1.069994437295115e-07 ] [ 4.456127143002337e-09 3.223029200151884e-09 9.577427395659838e-11 ] [ 1.129821092282757e-08 -4.009262455836763e-09 1.97604407089091e-09 ] [ -1.61242255357443e-10 -7.49387679197454e-10 1.015879801560298e-09 ] [ 1.214289302407974e-08 1.856796611483137e-08 6.969916486704529e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0994776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.170263856326398e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5020965 1.3888632 2.2226939 ] [ 2.5417175 2.6155388 4.5578878 ] [ 2.1718684 4.0560311 2.2161389 ] [ 4.647591 2.8905868 1.8608586 ] [ 5.1685941 2.8032223 4.3969417 ] [ 5.0810513 5.4313977 1.9032684 ] [ 3.7748374 5.0373821 4.0873666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5020965e-10 1.3888632e-10 2.2226939e-10 ] [ 2.5417175e-10 2.6155388e-10 4.5578878e-10 ] [ 2.1718684e-10 4.0560311e-10 2.2161389e-10 ] [ 4.647591e-10 2.8905868e-10 1.8608586e-10 ] [ 5.1685941e-10 2.8032223e-10 4.3969417e-10 ] [ 5.0810513e-10 5.4313977e-10 1.9032684e-10 ] [ 3.7748374e-10 5.0373821e-10 4.0873666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.32e-05 -2.09e-05 -1.25e-05 ] [ 1.21e-05 8e-06 -1.32e-05 ] [ 7.9e-06 -6.5e-06 9.6e-06 ] [ -1.42e-05 1.07e-05 1.25e-05 ] [ -5.2e-06 1.16e-05 5e-06 ] [ 3.6e-06 1.5e-06 2.4e-06 ] [ 8.9e-06 -4.4e-06 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.11487315688e-14 -3.34854916506e-14 -2.0027207925e-14 ] [ 1.93863372714e-14 1.2817413072e-14 -2.11487315688e-14 ] [ 1.26571954086e-14 -1.0414148121e-14 1.53808956864e-14 ] [ -2.27509082028e-14 1.71432899838e-14 2.0027207925e-14 ] [ -8.331318496799998e-15 1.85852489544e-14 8.010883169999999e-15 ] [ 5.767835882399999e-15 2.403264951e-15 3.845223921599999e-15 ] [ 1.42593720426e-14 -7.0495771896e-15 -5.9280535458e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.35204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.901626947823335e-18 } }