{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.5835556 6.946284 -4.391303 ] [ 8.2387507 -1.5377352 0.0807538 ] [ -1.189118 -8.8608734 3.9104589 ] [ 8.3664924 -0.8058014 -3.6533613 ] [ -9.327199 -5.8995926 -15.0859179 ] [ -7.3967475 -3.6562073 2.9846371 ] [ -3.2757342 13.813926 16.1547323 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.343665622456917e-09 1.112917382623711e-08 -7.035643001448902e-09 ] [ 1.319993375613964e-08 -2.463723386421212e-09 1.29381850400759e-10 ] [ -1.905177058972454e-09 -1.419668420134861e-08 6.265245826179285e-09 ] [ 1.340459852138088e-08 -1.291036164087909e-09 -5.853330062195495e-09 ] [ -1.494382017534914e-08 -9.452189335964686e-09 -2.417030496268823e-08 ] [ -1.185089591446085e-08 -5.857889856858292e-09 4.781915783192312e-09 ] [ -5.248304751194991e-09 2.213234927866126e-08 2.588273440634261e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -36.313244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.818023056220587e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0442647 1.8484179 2.9629674 ] [ 2.2383826 3.6232557 1.6679473 ] [ 1.4644182 3.856715 3.7200884 ] [ 2.8899856 5.3439499 2.8842659 ] [ 3.828196 2.0944573 1.6592163 ] [ 4.3508814 4.2548146 1.6105784 ] [ 3.5927146 3.3360867 3.4668984 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0442647e-10 1.8484179e-10 2.9629674e-10 ] [ 2.2383826e-10 3.6232557e-10 1.6679473e-10 ] [ 1.4644182e-10 3.856715e-10 3.7200884e-10 ] [ 2.8899856e-10 5.343949900000001e-10 2.8842659e-10 ] [ 3.828196e-10 2.0944573e-10 1.6592163e-10 ] [ 4.3508814e-10 4.2548146e-10 1.6105784e-10 ] [ 3.5927146e-10 3.3360867e-10 3.4668984e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.17e-05 -1.65e-05 -3.31e-05 ] [ 4.17e-05 -2.27e-05 3.55e-05 ] [ -3.2e-05 -8.1e-06 1.3e-06 ] [ 2.9e-06 5.54e-05 -1.51e-05 ] [ -2.82e-05 3.6e-06 3.97e-05 ] [ -3.6e-06 3.88e-05 -4.81e-05 ] [ 4.09e-05 -5.04e-05 1.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.476723267136e-14 -2.64359142432e-14 -5.303204614848e-14 ] [ 6.681076508736e-14 -3.636940929216e-14 5.68772700384e-14 ] [ -5.12696518656e-14 -1.297763062848e-14 2.08282960704e-15 ] [ 4.646312200320001e-15 8.876058479231999e-14 -2.419286697408e-14 ] [ -4.518138070656001e-14 5.76783583488e-15 6.360641184576e-14 ] [ -5.76783583488e-15 6.216445288704e-14 -7.706469546047999e-14 ] [ 6.552902379072e-14 -8.074970168832e-14 3.140266176767999e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }