{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.1763135 -55.459282 20.9082054 ] [ -16.7605745 -9.0468078 -62.5650074 ] [ 61.9919901 -8.4658986 -7.0112111 ] [ 97.7568134 59.3490886 12.5492274 ] [ -107.8130728 11.1639865 -28.1777195 ] [ -39.9071256 -22.7951872 35.6428067 ] [ 29.9082829 25.2541005 28.6536984 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.033690121995875e-08 -8.885556575881678e-08 3.349863815075262e-08 ] [ -2.685340083631623e-08 -1.449458406944894e-08 -1.002401929623171e-07 ] [ 9.932211803337932e-08 -1.356386492273331e-08 -1.123319860046144e-08 ] [ 1.566236822437781e-07 9.508772300411576e-08 2.010607891503257e-08 ] [ -1.727355860799009e-07 1.788667831259144e-08 -4.514568378230615e-08 ] [ -6.393826416642322e-08 -3.652191629949588e-08 5.710607206491864e-08 ] [ 4.791835202544175e-08 4.046152973378771e-08 4.590828605416318e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 47.885352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.672079208526515e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9500147 2.1074954 5.0799558 ] [ 2.0375125 3.7629375 2.8258115 ] [ 5.5704604 0.8808898 3.0375244 ] [ 5.0405693 3.5969833 2.5380195 ] [ 3.0452148 1.615573 1.3512803 ] [ 2.9441745 0.0431423 3.668307 ] [ 4.1007818 3.9412056 5.1682796 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9500147e-10 2.1074954e-10 5.0799558e-10 ] [ 2.0375125e-10 3.7629375e-10 2.8258115e-10 ] [ 5.5704604e-10 8.808898e-11 3.0375244e-10 ] [ 5.0405693e-10 3.5969833e-10 2.5380195e-10 ] [ 3.0452148e-10 1.615573e-10 1.3512803e-10 ] [ 2.9441745e-10 4.314230000000001e-12 3.668307e-10 ] [ 4.1007818e-10 3.9412056e-10 5.1682796e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.53e-05 2.86e-05 -1.7e-06 ] [ -5.41e-05 -1.41e-05 -2.41e-05 ] [ -1.02e-05 -1.38e-05 -1.96e-05 ] [ 2.5e-06 -4.6e-06 4e-06 ] [ 3.4e-05 8.9e-06 -8.7e-06 ] [ -1.92e-05 -3.2e-05 0.0 ] [ 1.15e-05 2.7e-05 5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.655683518019999e-14 4.58222517324e-14 -2.7237002778e-15 ] [ -8.66777558994e-14 -2.25906905394e-14 -3.86124568794e-14 ] [ -1.63422016668e-14 -2.21100375492e-14 -3.140266202639999e-14 ] [ 4.005441585e-15 -7.370012516399999e-15 6.408706535999999e-15 ] [ 5.447400555599999e-14 1.42593720426e-14 -1.39389367158e-14 ] [ -3.076179137279999e-14 -5.126965228799999e-14 0.0 ] [ 1.8425031291e-14 4.325876911799999e-14 8.010883169999999e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.040917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.050691230733338e-18 } }